SCHEMBL1709140

SCHEMBL1709140

Cc1cc(O)cc2[nH]c(C3CCOC3)nc12

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 12/20 0.37
FASN P49327 4/20 0.35
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
USP2 O75604 1/20 0.31
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.31
PARP1 P09874 1/20 0.31

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
SCHEMBL1285574 0.84 BRD4 (0.45) BRD4NPC1RAB9APOLBTSHR
SCHEMBL13351315 0.84 RPS6KA3 (0.43) BRD4FASNNPC1RAB9APARP1
SCHEMBL1285857 0.76 PTGES (0.43) BRD4FASNNPC1
SCHEMBL1285855 0.76 PTGES (0.43) BRD4FASNNPC1
SCHEMBL1285798 0.73 FASN (0.31) BRD4FASN
SCHEMBL1285444 0.70 NPC1 (0.36) FASNNPC1RAB9ATSHR
SCHEMBL13907882 0.69 NPC1 (0.49) BRD4NPC1RAB9APOLBTSHR
SCHEMBL1285783 0.68 PIK3CD (0.35) FASN
SCHEMBL1285737 0.68 HTT (0.47) PARP1
SCHEMBL20798449 0.67 FASN (0.36) FASN

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-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
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 BRD4 4618/4885FASN 4358/4885NPC1 1283/4885

“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.