SCHEMBL6979504

SCHEMBL6979504

Cc1cccc2c(=O)[nH]c(C(C)C)nc12

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 13/20 0.66
TNKS O95271 12/20 0.57
TNKS2 Q9H2K2 12/20 0.57
PARP2 Q9UGN5 6/20 0.54
PARP14 Q460N5 2/20 0.49
PARP11 Q9NR21 1/20 0.49

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
SCHEMBL30176866 1.00 PARP1 (0.66) PARP1TNKSTNKS2PARP2PARP14
SCHEMBL31483746 0.88 PARP1 (0.62) PARP1TNKSTNKS2PARP2PARP14
SCHEMBL21072675 0.88 PARP1 (0.62) PARP1TNKSTNKS2PARP2PARP14
SCHEMBL21127777 0.81 PARP1 (0.54) PARP1TNKSTNKS2PARP2PARP14
SCHEMBL15042919 0.80 PARP1 (0.42) PARP1TNKSTNKS2PARP2
SCHEMBL1387263 0.80 PARP1 (1.00) PARP1TNKSTNKS2PARP2
SCHEMBL17829612 0.77 PARP1 (0.70) PARP1TNKSTNKS2PARP2PARP14
SCHEMBL21072769 0.77 PARP1 (0.70) PARP1TNKSTNKS2PARP2PARP14
SCHEMBL9671521 0.77 PARP1 (0.70) PARP1TNKSTNKS2PARP2PARP14
SCHEMBL4313736 0.77 PARP1 (0.70) PARP1TNKSTNKS2PARP2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230130602-A1 INHIBITORS OF C. DIFFICILE SPORE GERMINATION THE BOARDS OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS 2023-04-27 US disclosed
US-20230130602-A1 INHIBITORS OF C. DIFFICILE SPORE GERMINATION THE BOARDS OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS 2023-04-27 US disclosed
CN-112174899-B Application of light-promoted Minisci C-H alkylation reaction in preparation of alkyl-substituted azacycle 南开大学 2023-01-17 CN disclosed
CN-112174899-A Application of light-promoted Minisci C-H alkylation reaction in preparation of alkyl-substituted azacycle 南开大学 2021-01-05 CN disclosed
US-8183276-B2 Therapeutic agents MERCK SHARP & DOHME CORP. 2012-05-22 US disclosed
US-20100324029-A1 THERAPEUTIC AGENTS MERCK SHARP & DOHME CORP. 2010-12-23 US disclosed
US-20100324029-A1 THERAPEUTIC AGENTS MERCK SHARP & DOHME CORP. 2010-12-23 US disclosed
US-5401745-A Cardiovascular disorders or hypotensive agents MERCK & CO., INC. (US) 1995-03-28 US disclosed
WO-1994021259-A1 QUINAZOLINONES SUBSTITUTED WITH PHENOXYPHENYLACETIC ACID DERIVATIVES MERCK & CO., INC. (US) 1994-09-29 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 (2 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-20230130602-A1 INHIBITORS OF C. DIFFICILE SPORE GERMINATION CDC37, SI, DAD1 PARP1 4316/4885TNKS 2943/4885TNKS2 3469/4885
US-20100324029-A1 THERAPEUTIC AGENTS PSEN2, PSEN1, BACE2 PARP1 1371/4885TNKS 2301/4885TNKS2 1469/4885

“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.