SCHEMBL22155643

SCHEMBL22155643

CSc1ccc2[nH]c(=O)n(C(C)C)c2c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PGR P06401 12/20 0.58
POLB P06746 2/20 0.58
MAOB P27338 1/20 0.51
B3GNT2 Q9NY97 3/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
DAO P14920 1/20 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
SCHEMBL2975327 0.80 POLB (0.62) PGRPOLBMAOBB3GNT2DAO
SCHEMBL17807767 0.80 MAOB (0.68) PGRPOLBMAOBB3GNT2
SCHEMBL29414802 0.79 PGR (0.60) PGRPOLBMAOBB3GNT2
SCHEMBL20987129 0.79 PGR (0.60) PGRPOLBMAOBB3GNT2
SCHEMBL29464129 0.79 PGR (0.78) PGRPOLBMAOBB3GNT2DAO
SCHEMBL2970468 0.79 PGR (0.78) PGRPOLBMAOBB3GNT2DAO
SCHEMBL2968866 0.79 PGR (0.72) PGRPOLBMAOBB3GNT2MAPT
SCHEMBL21839392 0.76 PGR (0.57) PGRPOLBMAOBB3GNT2
SCHEMBL22152166 0.76 PGR (0.57) PGRPOLBMAOBB3GNT2
SCHEMBL30930127 0.76 MAOB (0.64) PGRPOLBMAOBB3GNT2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200197391-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. 2020-06-25 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 (1 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-20200197391-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF KRAS, NRAS, HRAS PGR 2823/4885POLB 2323/4885MAOB 3601/4885

“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.