SCHEMBL3590761

SCHEMBL3590761

O=[N+]([O-])c1cc(-c2cccc(-c3ccc(C(F)(F)F)nc3)c2)cc(O)c1O

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
ERN1 O75460 3/20 0.42
TTR P02766 1/20 0.42
MAPT P10636 1/20 0.40
ABCC1 P33527 1/20 0.39
GPR35 Q9HC97 1/20 0.39

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
SCHEMBL3581492 0.82 CRHBP (0.48) CRHBPCRHR2ERN1TTRMAPT
SCHEMBL3587928 0.81 TTR (0.43) CRHBPCRHR2ERN1TTRMAPT
SCHEMBL3587362 0.81 TTR (0.40) CRHBPCRHR2ERN1TTRMAPT
SCHEMBL3587085 0.80 CRHBP (0.48) CRHBPCRHR2ERN1TTRMAPT
SCHEMBL3591011 0.80 TTR (0.39) CRHBPCRHR2ERN1TTRMAPT
SCHEMBL3585312 0.80 TTR (0.41) CRHBPCRHR2TTRMAPT
SCHEMBL3591823 0.79 CRHBP (0.47) CRHBPCRHR2ERN1TTRMAPT
SCHEMBL3588271 0.79 TTR (0.38) CRHBPCRHR2ERN1TTRMAPT
SCHEMBL3587756 0.79 COMT (0.49) TTRMAPT
SCHEMBL3593513 0.79 COMT (0.47) TTRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9446012-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-09-20 US disclosed
US-20140024682-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & CA, S.A. (PT) 2014-01-23 US disclosed
US-8536203-B2 Pharmaceutical compounds BIAL-PORTELA & CA, S.A. (PT) 2013-09-17 US disclosed
EP-2617713-A1 New Pharmaceutical Compounds BIAL - Portela & Ca., S.A. (PT) 2013-07-24 EP disclosed
US-20100168113-A1 Pharmaceutical Compounds BIAL-PORTELA & CA., S.A. (PT) 2010-07-01 US disclosed
EP-2027091-A1 NEW PHARMACEUTICAL COMPOUNDS BIAL - Portela & Ca., S.A. (PT) 2009-02-25 EP disclosed
WO-2007117165-A1 NEW PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & CA, S.A. (PT) 2007-10-18 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 (2 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-20100168113-A1 Pharmaceutical Compounds PMP22, CNR2, OPRL1 CRHBP 2476/4885CRHR2 1136/4885ERN1 4399/4885
US-20140024682-A1 PHARMACEUTICAL COMPOUNDS PMP22, CNR2, OPRL1 CRHBP 2476/4885CRHR2 1136/4885ERN1 4399/4885

“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.