SCHEMBL61310

SCHEMBL61310

O=C1N[C]Cc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.50
CA9 Q16790 2/20 0.50
PARP1 P09874 2/20 0.47
CASP3 P42574 2/20 0.47
CASP7 P55210 2/20 0.47
CASP6 P55212 2/20 0.47
CASP8 Q14790 2/20 0.47
PDPK1 O15530 1/20 0.47
PARP10 Q53GL7 1/20 0.47
PARP11 Q9NR21 1/20 0.47
TDP2 O95551 1/20 0.47
CASP9 P55211 1/20 0.47
MAP3K14 Q99558 1/20 0.47
TSHR P16473 1/20 0.43
MAOA P21397 3/20 0.42
MAOB P27338 2/20 0.42
CES1 P23141 2/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL19678 0.69
SCHEMBL1451688 0.67 MAOA (0.46) CA12CA9PARP1CASP3CASP7
SCHEMBL4818277 0.67 CA12 (1.00) CA12CA9PARP1CASP3CASP7
SCHEMBL14896 0.67 CA12 (1.00) CA12CA9PARP1CASP3CASP7
SCHEMBL29355184 0.67 CA12 (1.00) CA12CA9PARP1CASP3CASP7
SCHEMBL7454690 0.67 MAOA (0.52) CA12CA9PARP1CASP3CASP7
SCHEMBL209077 0.67 MAOA (0.38) TSHRMAOAMAOBCES1ALDH1A1
SCHEMBL30212315 0.65 TDP2 (0.66) CA12CA9PARP1CASP3CASP7
SCHEMBL23070369 0.65 CA12 (0.54) CA12CA9PARP1CASP3CASP7
Water SCHEMBL19462706 0.65 CA12 (0.95) CA12CA9PARP1CASP3CASP7

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 1548 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115515947-B SHP2 inhibitor, composition and application thereof 贝达药业股份有限公司 2024-02-06 CN claimed
WO-2023064195-A1 CGRP ANTAGONISTS FOR TREATING TRIGEMINAL NEURALGIA PFIZER IRELAND PHARMACEUTICALS (IE) 2023-04-20 WO claimed
WO-2023034467-A2 CGRP ANTAGONISTS FOR TREATING SKIN CONDITIONS PFIZER IRELAND PHARMACEUTICALS (IE) 2023-03-09 WO claimed
WO-2023034466-A1 CGRP ANTAGONISTS FOR TREATING PSORIASIS PFIZER IRELAND PHARMACEUTICALS (IE) 2023-03-09 WO claimed
US-RE49361-E1 Fused bicyclic (hetero)aromatic compounds useful for the treatment of cancers JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2023-01-10 US claimed
CN-115515947-A SHP2 inhibitor and composition and application thereof 贝达药业股份有限公司 2022-12-23 CN claimed
US-20210363175-A1 9(11)-UNSATURATED NEUROACTIVE STEROIDS AND THEIR METHODS OF USE SAGE THERAPEUTICS, INC. 2021-11-25 US claimed
CN-113227114-A 9(11) -unsaturated neuroactive steroids and methods of use thereof 萨奇治疗股份有限公司 2021-08-06 CN claimed
WO-2020163236-A1 TREATING LONG QT SYNDROME THE GENERAL HOSPITAL CORPORATION (US) 2020-08-13 WO claimed
WO-2020082065-A1 9(11)-UNSATURATED NEUROACTIVE STEROIDS AND THEIR METHODS OF USE SAGE THERAPEUTICS, INC. (US) 2020-04-23 WO claimed
EP-1299352-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2003-04-09 EP claimed
WO-2003002122-A1 BETA-HYDROXYAMINE DERIVATIVES USEFUL IN TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2003-01-09 WO claimed
WO-2002094768-A2 AZA HYDROXYLATED ETHYL AMINE COMPOUNDS ELAN PHARMACEUTICALS, INC. (US) 2002-11-28 WO claimed
US-20020143177-A1 Compounds to treat alzheimer's disease PHARMACIA & UPJOHN COMPANY 2002-10-03 US claimed
US-20020128255-A1 Compounds to treat alzheimer's disease PHARMACIA & UPJOHN COMPANY 2002-09-12 US claimed
US-20020016320-A1 Compounds to treat alzheimer's disease ELAN PHARMACEUTICALS, INC. 2002-02-07 US claimed
WO-2002002506-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 WO claimed
EP-0406119-B1 New peptide derivatives, process of their preparation and pharmaceutical compositions containing them ADIR (FR) 1994-01-19 EP claimed
US-5250517-A Hypotensive and cardiotonic agents; cardiac insufficiency HOFFMANN-LA ROCHE INC. (US) 1993-10-05 US claimed
US-5098888-A Cholinergic agents and antispasmodic agents ADIR ET COMPAGNIE (FR) 1992-03-24 US claimed

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

For each of this compound's patents that has machine-readable text (4 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-20020143177-A1 Compounds to treat alzheimer's disease PSEN2, PSEN1, CHAT CA12 890/4885CA9 1842/4885PARP1 2619/4885
US-20020128255-A1 Compounds to treat alzheimer's disease PSEN2, PSEN1, APP CA12 1161/4885CA9 2277/4885PARP1 2861/4885
US-20210363175-A1 9(11)-UNSATURATED NEUROACTIVE STEROIDS AND THEIR METHODS OF USE NR3C2, GRIN2B, HTR1B CA12 2411/4885CA9 1778/4885PARP1 4586/4885
US-20020016320-A1 Compounds to treat alzheimer's disease PSEN1, PSEN2, CHAT CA12 1075/4885CA9 1930/4885PARP1 3625/4885

“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.