SCHEMBL4526835

SCHEMBL4526835

COc1cnc2ccccc2n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 10/20 0.68
RAB9A P51151 4/20 0.68
NPC1 O15118 3/20 0.68
NPSR1 Q6W5P4 1/20 0.68
RXFP1 Q9HBX9 1/20 0.68
ALDH1A1 P00352 5/20 0.60
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
HPGD P15428 1/20 0.58
ATM Q13315 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.53
KDM4E B2RXH2 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAPT P10636 1/20 0.47
NQO2 P16083 2/20 0.47
PDE10A Q9Y233 1/20 0.47
POLB P06746 1/20 0.46

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
SCHEMBL11030583 0.82 HTT (0.77) HTTRAB9ANPC1NPSR1RXFP1
SCHEMBL19708850 0.82 HTT (0.49) HTTRAB9ANPC1NPSR1RXFP1
SCHEMBL23229125 0.79 ALDH1A1 (0.64) HTTRAB9ANPC1NPSR1RXFP1
SCHEMBL9815623 0.78 HTT (0.66) HTTRAB9ANPC1NPSR1RXFP1
SCHEMBL6002434 0.78 HTT (0.60) HTTRAB9ANPC1NPSR1RXFP1
SCHEMBL9282533 0.78 HTT (0.60) HTTRAB9ANPC1NPSR1RXFP1
SCHEMBL12729870 0.78 HTT (0.55) HTTRAB9ANPC1NPSR1RXFP1
SCHEMBL17496481 0.78 HTT (0.45) HTTRAB9ANPC1NPSR1RXFP1
SCHEMBL1474781 0.78 HTT (0.55) HTTRAB9ANPC1NPSR1RXFP1
Formaldehyde SCHEMBL28251520 0.77 HTT (0.69) HTTRAB9ANPC1NPSR1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0584222-A4 BIS MONO-AND BICYCLIC ARYL AND HETEROARYL COMPOUNDS WHICH INHIBIT EGF AND/OR PDGF RECEPTOR TYROSINE KINASE RHONE POULENC RORER INT (US) 1994-07-06 EP claimed
EP-0584222-A1 BIS MONO-AND BICYCLIC ARYL AND HETEROARYL COMPOUNDS WHICH INHIBIT EGF AND/OR PDGF RECEPTOR TYROSINE KINASE. RHONE POULENC RORER INT (US) 1994-03-02 EP claimed
CN-116634871-A Pesticidal compounds and compositions, methods of use and methods of preparation thereof 阿达玛马克西姆有限公司 2023-08-22 CN disclosed
US-11673898-B2 Substituted inhibitors of menin-MLL and methods of use KURA ONCOLOGY, INC. (US) 2023-06-13 US disclosed
US-11673898-B2 Substituted inhibitors of menin-MLL and methods of use KURA ONCOLOGY, INC. (US) 2023-06-13 US disclosed
US-11649251-B2 Substituted inhibitors of menin-MLL and methods of use KURA ONCOLOGY, INC. (US) 2023-05-16 US disclosed
US-20230046569-A1 NSD FAMILY INHIBITORS AND METHODS OF TREATMENT THEREWITH THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2023-02-16 US disclosed
US-11542248-B2 Methods and compositions for inhibiting the interaction of menin with MLL proteins KURA ONCOLOGY, INC. (US) 2023-01-03 US disclosed
US-20220251049-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2022-08-11 US disclosed
EP-4006030-A2 METHODS AND COMPOSITIONS FOR INHIBITING THE INTERACTION OF MENIN WITH MLL PROTEINS Kura Oncology, Inc. (US) 2022-06-01 EP disclosed
US-11324729-B2 NSD family inhibitors and methods of treatment therewith THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2022-05-10 US disclosed
WO-2007056120-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-18 WO disclosed
EP-1781650-A1 NOVEL COMPOUNDS HAVING AN ANTI-BACTERIAL ACTIVITY Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2007-05-09 EP disclosed
WO-2006086381-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-08-17 WO disclosed
WO-2006021448-A1 NOVEL COMPOUNDS HAVING AN ANTI-BACTERIAL ACTIVITY Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2006-03-02 WO disclosed
US-20060019959-A1 Novel quinoxalinone derivatives BANYU PHARMACEUTICAL CO., LTD. TSUKUBA RESEARCH INSTITUTE (JP) 2006-01-26 US disclosed
EP-1557418-A1 NOVEL QUINOXALINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-07-27 EP disclosed
EP-0985674-B1 ORGANIC COMPOUNDS CONTAINING SILICON OR GERMANIUM, TRANSITION METAL COMPLEXES, CATALYST FOR ALPHA-OLEFIN POLYMERIZATION, AND PROCESSES FOR PRODUCING ALPHA-OLEFIN POLYMERS MITSUBISHI CHEM CORP (JP) 2003-04-23 EP disclosed
US-6255515-B1 COORDINATION POLYMERIZATION CATALYSTS MITSUBISHI CHEMICAL CORPORATION (JP) 2001-07-03 US disclosed
EP-0985674-A1 ORGANIC COMPOUNDS CONTAINING SILICON OR GERMANIUM, TRANSITION METAL COMPLEXES, CATALYST FOR $g(a)-OLEFIN POLYMERIZATION, AND PROCESSES FOR PRODUCING $g(a)-OLEFIN POLYMERS MITSUBISHI CHEMICAL CORPORATION (JP) 2000-03-15 EP 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 (7 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-11542248-B2 Methods and compositions for inhibiting the interaction of menin with MLL proteins MLLT1, MEN1, BMI1 HTT 3417/4885RAB9A 3168/4885NPC1 3552/4885
US-20230046569-A1 NSD FAMILY INHIBITORS AND METHODS OF TREATMENT THEREWITH NSD3, NSD2, NSD1 HTT 2838/4885RAB9A 2714/4885NPC1 2107/4885
US-11649251-B2 Substituted inhibitors of menin-MLL and methods of use MLLT1, MEN1, MLLT3 HTT 3724/4885RAB9A 3429/4885NPC1 4170/4885
US-20220251049-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, NRAS, KRAS HTT 4456/4885RAB9A 499/4885NPC1 4257/4885
US-11324729-B2 NSD family inhibitors and methods of treatment therewith NSD3, NSD2, NSD1 HTT 2838/4885RAB9A 2714/4885NPC1 2107/4885
US-11673898-B2 Substituted inhibitors of menin-MLL and methods of use MLLT1, MEN1, MLLT3 HTT 4292/4885RAB9A 3585/4885NPC1 4304/4885
US-20060019959-A1 Novel quinoxalinone derivatives NDUFB1, NDUFB6, NDUFB11 HTT 2359/4885RAB9A 965/4885NPC1 927/4885

“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.