SCHEMBL2632474

SCHEMBL2632474

Cc1ccc2c([nH]c(=O)n2C(C)C)c1C(N)=S

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
DAO P14920 5/20 0.40
PGR P06401 8/20 0.35
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MTOR P42345 1/20 0.32
MAOB P27338 1/20 0.31
HPD P32754 1/20 0.30

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
SCHEMBL2632475 0.83 POLB (0.43) POLBDAOPGRHPD
SCHEMBL2632476 0.80 POLB (0.40) POLBDAOPGRKMT2AMAOB
SCHEMBL1654678 0.76 POLB (0.49) POLBDAOPGRKMT2A
SCHEMBL12793458 0.72 DAO (0.40) POLBDAOPGRKMT2AMAOB
SCHEMBL12730589 0.70 PGR (0.46) POLBDAOPGR
SCHEMBL1656819 0.69 POLB (0.50) POLBDAOPGR
SCHEMBL1655471 0.68 ATM (0.45) POLBDAOPGRMEN1KMT2A
SCHEMBL10165987 0.68 EZH2 (0.37) POLBDAOKMT2A
SCHEMBL2632477 0.66 TYK2 (0.37) POLBDAOPGRMEN1KMT2A
SCHEMBL12793452 0.65 DAO (0.41) POLBDAOPGRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101032-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-26 US disclosed
WO-2012054874-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-26 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 (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-20120101032-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, EIF4A2 POLB 399/4885DAO 2853/4885PGR 910/4885

“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.