SCHEMBL1285741

SCHEMBL1285741

Cc1cc(Oc2cc(Cl)ncn2)cc2[nH]c(C3CCCO3)nc12

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGES O14684 5/20 0.40
FASN P49327 2/20 0.31
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 2/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
PRCP P42785 1/20 0.30
RAB9A P51151 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
SCHEMBL1285833 1.00 PTGES (0.40) PTGESFASNKDM4EALDH1A1HPGD
SCHEMBL1285740 1.00 PTGES (0.40) PTGESFASNKDM4EALDH1A1HPGD
SCHEMBL1285887 0.84 PTGES (0.36) PTGESALDH1A1HPGD
SCHEMBL1285798 0.82 FASN (0.31) FASN
SCHEMBL4071073 0.77 PTGES (0.43) PTGESFASNKDM4EALDH1A1HPGD
SCHEMBL1285773 0.77 HTT (0.40) KDM4EALDH1A1HPGD
SCHEMBL1286364 0.75 PIK3CD (0.40)
SCHEMBL1286365 0.75 PIK3CD (0.40)
SCHEMBL1286182 0.74 ALDH1A1 (0.33) KDM4EALDH1A1HPGD
SCHEMBL1285888 0.73 KCNH2 (0.39)

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
EP-2379529-B1 CGRP-ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2015-06-10 EP disclosed
US-8952014-B2 Pyrimidine derivatives which are CGRP—antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-10 US disclosed
US-20120088755-A1 Novel Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-12 US disclosed
EP-2379529-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-26 EP disclosed
WO-2010070022-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-24 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-20120088755-A1 Novel Compounds SLC26A4, F12, SLCO1B3 PTGES 2602/4885FASN 4358/4885KDM4E 4588/4885

“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.