SCHEMBL6979682

SCHEMBL6979682

CC(C)c1nc2cccc(F)c2c(=O)[nH]1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.65
TNKS O95271 1/20 0.50
TNKS2 Q9H2K2 1/20 0.50
KDM4E B2RXH2 3/20 0.44
LMNA P02545 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TYMS P04818 1/20 0.43
MMP13 P45452 1/20 0.41
MAPT P10636 1/20 0.37

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
SCHEMBL2659299 0.79 PARP1 (1.00) PARP1TNKSTNKS2KDM4ETYMS
SCHEMBL29964360 0.79 PARP1 (1.00) PARP1TNKSTNKS2KDM4ETYMS
SCHEMBL12309239 0.77 KDM4E (0.45) PARP1KDM4ELMNAHSD17B10
SCHEMBL30395697 0.76 PARP1 (0.66) PARP1TNKSTNKS2TYMSMMP13
SCHEMBL578200 0.76 PARP1 (0.66) PARP1TNKSTNKS2TYMSMMP13
SCHEMBL17298073 0.75 PARP1 (0.65) PARP1TNKSTNKS2KDM4ETYMS
SCHEMBL2614349 0.73 KDM4E (0.62) PARP1TNKSTNKS2KDM4EMAPT
SCHEMBL3126112 0.72 PARP1 (0.60) PARP1TNKSTNKS2KDM4ELMNA
SCHEMBL13453668 0.72 KDM4E (0.44) PARP1KDM4ELMNAHSD17B10
SCHEMBL31523640 0.72 PARP1 (0.60) PARP1TNKSTNKS2KDM4ELMNA

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 5 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
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

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.