SCHEMBL15074290

SCHEMBL15074290

COc1cc(O)c(C#N)cc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.46
AR P10275 1/20 0.46
ALDH1A1 P00352 4/20 0.41
EGFR P00533 3/20 0.41
KDM4E B2RXH2 2/20 0.41
USP2 O75604 2/20 0.41
ALOX5 P09917 1/20 0.40
PTGS2 P35354 1/20 0.40
IMPDH2 P12268 1/20 0.37
IMPDH1 P20839 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
MEN1 O00255 1/20 0.37
RGS12 O14924 1/20 0.37
GMNN O75496 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
SCHEMBL23663416 0.93 PGR (0.46) PGRARALDH1A1EGFRKDM4E
SCHEMBL5905817 0.84 AR (0.47) PGRARALDH1A1EGFRKDM4E
SCHEMBL2129737 0.78 KDM4E (0.41) PGRARALDH1A1KDM4EUSP2
SCHEMBL1708651 0.78 KDM4E (0.49) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL2728012 0.78 TRPV4 (0.41) PGRARALDH1A1KDM4EUSP2
SCHEMBL31432508 0.78 ALOX5 (0.50) ALDH1A1ALOX5PTGS2GRIN2DGRIN3B
SCHEMBL7788363 0.76 ALOX5 (0.48) ALDH1A1ALOX5PTGS2GRIN2DGRIN3B
SCHEMBL19361333 0.76 ALOX5 (0.48) ALOX5PTGS2
SCHEMBL1852407 0.75 MEN1 (0.39) ARALDH1A1EGFRKDM4EMEN1
SCHEMBL31510972 0.74 TRPV4 (0.41) PGRARALDH1A1KDM4EUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2794613-B1 CONDENSED TRICLYCLIC COMPOUNDS AS INHIBITORS OF HIV REPLICATION BOEHRINGER INGELHEIM INT (DE) 2017-03-29 EP disclosed
US-9399645-B2 Inhibitors of HIV replication BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-07-26 US disclosed
US-20150011531-A1 INHIBITORS OF HIV REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-08 US disclosed
WO-2013091096-A1 CONDENSED TRICLYCLIC COMPOUNDS AS INHIBITORS OF HIV REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-27 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-20150011531-A1 INHIBITORS OF HIV REPLICATION MCM3, REV1, POLR2E PGR 1122/4885AR 938/4885ALDH1A1 2037/4885

“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.