SCHEMBL8256698

SCHEMBL8256698

Cn1nnc2cccnc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC9A1 P19634 2/20 0.50
▸ KEAP1 Q14145 1/20 0.50
▸ TUBB4A P04350 1/20 0.41
▸ TUBB P07437 1/20 0.41
▸ TUBA3C P0DPH7 1/20 0.41
▸ TUBA1B P68363 1/20 0.41
▸ TUBA4A P68366 1/20 0.41
▸ TUBB4B P68371 1/20 0.41
▸ TUBB3 Q13509 1/20 0.41
▸ TUBB2A Q13885 1/20 0.41
▸ TUBB8 Q3ZCM7 1/20 0.41
▸ TUBA3E Q6PEY2 1/20 0.41
▸ TUBA1A Q71U36 1/20 0.41
▸ TUBA1C Q9BQE3 1/20 0.41
▸ TUBB6 Q9BUF5 1/20 0.41
▸ TUBB2B Q9BVA1 1/20 0.41
▸ TUBB1 Q9H4B7 1/20 0.41
▸ FAAH O00519 3/20 0.40
▸ MGLL Q99685 3/20 0.40
▸ RAB9A P51151 3/20 0.38

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
SCHEMBL31289323 1.00 SLC9A1 (0.50) SLC9A1KEAP1TUBB4ATUBBTUBA3C
SCHEMBL5393 0.75 POLB (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Potassium Ion SCHEMBL29403001 0.75 FAAH (0.39) SLC9A1KEAP1TUBB4ATUBBTUBA3C
SCHEMBL29376241 0.75 POLB (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16879491 0.75 ALDH1A1 (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL25400045 0.75 FAAH (0.39) SLC9A1KEAP1TUBB4ATUBBTUBA3C
SCHEMBL537916 0.75 FAAH (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL19957621 0.75 TUBB4A (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1226224 0.75 POLB (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL12672863 0.75 SLC9A1 (0.55) SLC9A1TUBB4ATUBBTUBA3CTUBA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023171608-A1 METHOD FOR PRODUCING POLYOXYETHYLENE DERIVATIVE, METHOD FOR QUANTITATING POLYOXYETHYLENE COMPOUND, AND LABELING REAGENT FOR ANALYSIS USE 日油株式会社 2023-09-14 — — WO disclosed
WO-2023132369-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING NRF2 ACTIVATION EFFECT 中外製薬株式会社 2023-07-13 — — WO disclosed
US-11666594-B2 Antibody-drug conjugates comprising a cyclic dinucleotide TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-06-06 — — US disclosed
US-20230149560-A1 LIPID COMPOSITIONS FOR DELIVERY OF STING AGONIST COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2023-05-18 — — US disclosed
US-20230149560-A1 LIPID COMPOSITIONS FOR DELIVERY OF STING AGONIST COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2023-05-18 — — US disclosed
US-20230026909-A1 1,2,4-OXADIAZOLE DERIVATIVES AS HISTONE DEACETYLASE 6 INHIBITORS ORYZON GENOMICS, S.A. (ES) 2023-01-26 — — US disclosed
US-20220386614-A1 OXADIAZOLINE COMPOUND OR SALTS THEREOF, AGRICULTURAL AND HORTICULTURAL BACTERICIDE CONTAINING SAID COMPOUND, AND METHOD FOR USING SAME NIHON NOHYAKU CO., LTD. (JP) 2022-12-08 — — US disclosed
WO-2022187693-A1 COVALENT CDK2-BINDING COMPOUNDS FOR THERAPEUTIC PURPOSES UMBRA THERAPEUTICS INC. (US) 2022-09-09 — — WO disclosed
US-20220144762-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2022-05-12 — — US disclosed
US-11173145-B2 Compounds useful as inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan dioxygenase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-11-16 — — US disclosed
EP-1584625-B1 Method of preparing tripeptide intermediates for the preparation of LHRH antagonists AJINOMOTO KK (JP) 2009-09-30 — — EP disclosed
US-20090203889-A1 Bivalent linkers and conjugates thereof ENDOCYTE, INC. (US) 2009-08-13 — — US disclosed
WO-2008104203-A2 18F FLUORO-BENZOYL LABELLED BIOLOGICAL ACTIVE COUMPOUNDS AS DIAGNOSITIC IMAGING AGENTS AS WELL AS BENZOTRIAZOL-1-YLOXY-BENZOYL, 2,5-DIOXO-PYRROLIDIN-1-YLOXY) BENZOYL AND TRIMETHYLAMMONIO-BENZOYL PRECURSERS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-04 — — WO disclosed
EP-1964848-A1 Radiofluorination methods Bayer Schering Pharma Aktiengesellschaft (DE) 2008-09-03 — — EP disclosed
US-20080188478-A1 Compounds Useful In Therapy PFIZER INC. 2008-08-07 — — US disclosed
US-20070161578-A1 Treatment of nonalcoholic fatty liver disease using cholesterol lowering agents and/or H3 receptor antagonist/inverse agonist SCHERING CORPORATION 2007-07-12 — — US disclosed
US-20070142369-A1 Combination of an H3 antagonist/inverse agonist and an appetite suppressant SCHERING CORPORATION 2007-06-21 — — US disclosed
US-20070112196-A1 New coupling agents for peptide synthesis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-05-17 — — US disclosed
US-20070043207-A1 Novel coupling agent and uses thereof LUXEMBOURG INDUSTRIES LTD. (IL) 2007-02-22 — — US disclosed
WO-2006114706-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2006-11-02 — — 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 (12 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-20230149560-A1 LIPID COMPOSITIONS FOR DELIVERY OF STING AGONIST COMPOUNDS AND USES THEREOF STING1, CGAS, TLR9 SLC9A1 4672/4885KEAP1 1401/4885TUBB4A 4626/4885
US-20090203889-A1 Bivalent linkers and conjugates thereof CCNB2, PAICS, FOLR2 SLC9A1 3000/4885KEAP1 1024/4885TUBB4A 346/4885
US-20070142369-A1 Combination of an H3 antagonist/inverse agonist and an appetite suppressant CNR2, GPR119, GLP1R SLC9A1 2451/4885KEAP1 1045/4885TUBB4A 3883/4885
US-20220386614-A1 OXADIAZOLINE COMPOUND OR SALTS THEREOF, AGRICULTURAL AND HORTICULTURAL BACTERICIDE CONTAINING SAID COMPOUND, AND METHOD FOR USING SAME BROX, CYP51A1, TBCD SLC9A1 165/4885KEAP1 655/4885TUBB4A 2697/4885
US-20070112196-A1 New coupling agents for peptide synthesis NGLY1, NPPA, VIP SLC9A1 3602/4885KEAP1 1668/4885TUBB4A 1552/4885
US-11173145-B2 Compounds useful as inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan dioxygenase TPH2, TPH1, IDO2 SLC9A1 2989/4885KEAP1 694/4885TUBB4A 1851/4885
US-11666594-B2 Antibody-drug conjugates comprising a cyclic dinucleotide STING1, TLR9, CGAS SLC9A1 858/4885KEAP1 2109/4885TUBB4A 3386/4885
US-20070043207-A1 Novel coupling agent and uses thereof PTMS, ANP32A, MBTPS1 SLC9A1 4486/4885KEAP1 3277/4885TUBB4A 1784/4885
US-20230026909-A1 1,2,4-OXADIAZOLE DERIVATIVES AS HISTONE DEACETYLASE 6 INHIBITORS HDAC6, HDAC1, HDAC3 SLC9A1 1619/4885KEAP1 314/4885TUBB4A 132/4885
US-20070161578-A1 Treatment of nonalcoholic fatty liver disease using cholesterol lowering agents and/or H3 receptor antagonist/inverse agonist NR1H4, NR1H3, NR1H2 SLC9A1 1829/4885KEAP1 1029/4885TUBB4A 2431/4885
US-20080188478-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 SLC9A1 681/4885KEAP1 1082/4885TUBB4A 1255/4885
US-20220144762-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE DDC, AADAT, TYR SLC9A1 3524/4885KEAP1 714/4885TUBB4A 871/4885

“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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