SCHEMBL110730

SCHEMBL110730

NCc1ccccc1N1CCCCC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NCF1 P14598 3/20 0.70
▸ KEAP1 Q14145 1/20 0.57
▸ MAPK1 P28482 2/20 0.50
▸ NPC1 O15118 1/20 0.49
▸ GAA P10253 1/20 0.47
▸ FABP3 P05413 1/20 0.44
▸ FABP4 P15090 1/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.41
▸ KCNQ2 O43526 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ LIPG Q9Y5X9 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ PLA2G1B P04054 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ ATG4B Q9Y4P1 1/20 0.40
▸ EGFR P00533 1/20 0.40
▸ RAF1 P04049 1/20 0.40
▸ MAPT P10636 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16814951 1.00 NCF1 (0.70) NCF1KEAP1MAPK1NPC1GAA
SCHEMBL111729 0.98 NCF1 (0.72) NCF1KEAP1MAPK1NPC1GAA
SCHEMBL16814882 0.94 NCF1 (0.77) NCF1KEAP1MAPK1NPC1GAA
SCHEMBL27834649 0.90 NCF1 (0.71) NCF1KEAP1KMT2AALDH1A1KDM4E
SCHEMBL10558443 0.85 KEAP1 (0.53) NCF1KEAP1MAPK1NPC1GAA
Phenylpiperazine SCHEMBL8135281 0.83 ADRB1 (0.56) NCF1
SCHEMBL111234 0.83 NCF1 (1.00) NCF1KEAP1MAPK1KMT2AALDH1A1
SCHEMBL27585360 0.82 NCF1 (0.58) NCF1KEAP1GAAKMT2AALDH1A1
SCHEMBL6514775 0.82 KEAP1 (0.53) NCF1KEAP1MAPK1NPC1GAA
SCHEMBL16814930 0.81 L3MBTL1 (0.54) NCF1HRH3ALDH1A1L3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 153 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0427765-B1 ALKOXY-4(1H)-PYRIDONE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USE AS DRUGS GOEDECKE AG (DE) 2000-01-05 — — EP claimed
US-12570684-B2 DPAGT1 inhibitors of capuramycin analogues and their antimigratory activities of solid tumors UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2026-03-10 — — US disclosed
US-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2024-07-30 — — US disclosed
US-11970448-B2 Monomers capable of dimerizing in an aqueous solution, and methods of using same CORNELL UNIVERSITY (US) 2024-04-30 — — US disclosed
US-20230340006-A1 DPAGT1 INHIBITORS OF CAPURAMYCIN ANALOGUES AND THEIR ANTIMIGRATORY ACTIVITIES OF SOLID TUMORS UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2023-10-26 — — US disclosed
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ALTAVANT SCIENCES GMBH 2023-09-19 — — US disclosed
US-20230010299-A1 HETEROCYCLIC TRPML1 AGONISTS LIBRA THERAPEUTICS, INC. 2023-01-12 — — US disclosed
US-20220315548-A1 SMALL MOLECULE AGONISTS OF MUCOLIPIN 1 AND USES THEREOF NATIONAL CENTER FOR ADVANCING TRANSLATIONAL SCIENCES 2022-10-06 — — US disclosed
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2021-09-09 — — US disclosed
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2021-07-08 — — US disclosed
US-20060135773-A1 Trisubstituted nitrogen modulators of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2006-06-22 — — US disclosed
US-7041830-B2 Process for preparing (RS) 3-methyl-1-(2-piperidinyl phenyl) butyl amine COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2006-05-09 — — US disclosed
US-20060052374-A1 Amino-tetrazole analogues and methods of use ABBVIE INC. 2006-03-09 — — US disclosed
WO-2006009876-A2 TRISUBSTITUTED NITROGEN MODULATORS OF TYROSINE PHOSPHATASES CENGENT THERAPEUTICS, INC. (US) 2006-01-26 — — WO disclosed
US-20060004013-A1 Alzheimer's disease, senile dementia, Down syndrome or amyloidosis; 3E)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]piperidin-2-one; imidazolyl-functional compounds inhibit production of Amyloid beta 40 and Amyloid beta 42; low hygroscopicity; good solubility EISAI CO., LTD. 2006-01-05 — — US disclosed
WO-2005095343-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-10-13 — — WO disclosed
US-20050080258-A1 Pyridine and pyrimidine derivatives GENTEX CORPORATION 2005-04-14 — — US disclosed
US-20040192921-A1 Process for preparing (RS) 3-methyl-1-(2-piperidinyl phenyl) butyl amine COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH 2004-09-30 — — US disclosed
EP-1448555-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES Celltech R & D Limited (GB) 2004-08-25 — — EP disclosed
WO-2003045941-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES CELLTECH R & D LIMITED (GB) 2003-06-05 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11970448-B2 Monomers capable of dimerizing in an aqueous solution, and methods of using same CALCOCO2, MDN1, MBNL1 NCF1 202/4885KEAP1 4353/4885MAPK1 1503/4885
US-20040192921-A1 Process for preparing (RS) 3-methyl-1-(2-piperidinyl phenyl) butyl amine GPR119, GLP1R, IRS1 NCF1 4334/4885KEAP1 1440/4885MAPK1 269/4885
US-20220315548-A1 SMALL MOLECULE AGONISTS OF MUCOLIPIN 1 AND USES THEREOF MCOLN1, MCOLN2, MCOLN3 NCF1 1669/4885KEAP1 3912/4885MAPK1 1005/4885
US-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR4A1 NCF1 1648/4885KEAP1 3435/4885MAPK1 2366/4885
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A NCF1 2811/4885KEAP1 508/4885MAPK1 1325/4885
US-20060135773-A1 Trisubstituted nitrogen modulators of tyrosine phosphatases PTPA, PTPN1, PTPRS NCF1 240/4885KEAP1 3626/4885MAPK1 944/4885
US-20230340006-A1 DPAGT1 INHIBITORS OF CAPURAMYCIN ANALOGUES AND THEIR ANTIMIGRATORY ACTIVITIES OF SOLID TUMORS DPAGT1, DPM1, DIMT1 NCF1 305/4885KEAP1 3189/4885MAPK1 2312/4885
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR4A1 NCF1 1648/4885KEAP1 3435/4885MAPK1 2366/4885
US-12570684-B2 DPAGT1 inhibitors of capuramycin analogues and their antimigratory activities of solid tumors DPAGT1, MAGT1, DAD1 NCF1 1684/4885KEAP1 2731/4885MAPK1 951/4885
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A NCF1 2811/4885KEAP1 508/4885MAPK1 1325/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 NCF1 2200/4885KEAP1 3617/4885MAPK1 3144/4885
US-20230010299-A1 HETEROCYCLIC TRPML1 AGONISTS TRPM7, TRPM2, TRPM5 NCF1 2001/4885KEAP1 1775/4885MAPK1 465/4885
US-20060004013-A1 Alzheimer's disease, senile dementia, Down syndrome or amyloidosis; 3E)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]piperidin-2-one; imidazolyl-functional compounds inhibit production of Amyloid beta 40 and Amyloid beta 42; low hygroscopicity; good solubility PSEN1, APP, BACE1 NCF1 3723/4885KEAP1 2680/4885MAPK1 58/4885
US-20050080258-A1 Pyridine and pyrimidine derivatives ROR1, MAPK1, IRAK1 NCF1 1701/4885KEAP1 1168/4885MAPK1 2/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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