SCHEMBL3581492

SCHEMBL3581492

O=[N+]([O-])c1cc(-c2cccc(-c3cccc(C(F)(F)F)n3)c2)cc(O)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
PAX8 Q06710 1/20 0.42
ERN1 O75460 4/20 0.41
COMT P21964 1/20 0.41
TTR P02766 3/20 0.41
DUSP3 P51452 1/20 0.38
GPR35 Q9HC97 3/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
CYP2C9 P11712 2/20 0.38
HPGD P15428 2/20 0.38
MAPK1 P28482 2/20 0.38
RECQL P46063 2/20 0.38
PMP22 Q01453 2/20 0.38

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
SCHEMBL3579413 0.86 SMN1; SMN2 (0.42) CRHBPCRHR2MEN1KMT2ANPC1
SCHEMBL3590761 0.82 CRHBP (0.49) CRHBPCRHR2ERN1TTRGPR35
SCHEMBL3587085 0.77 CRHBP (0.48) CRHBPCRHR2MEN1KMT2ARAB9A
SCHEMBL3591823 0.76 CRHBP (0.47) CRHBPCRHR2MEN1KMT2ARAB9A
SCHEMBL3581623 0.74 CRHBP (0.45) CRHBPCRHR2MEN1KMT2AERN1
SCHEMBL3587064 0.74 TTR (0.39) CRHBPCRHR2MEN1KMT2ARAB9A
SCHEMBL1446727 0.74 CRHBP (0.47) CRHBPCRHR2MEN1KMT2ARAB9A
SCHEMBL1446958 0.74 CRHBP (0.47) CRHBPCRHR2MEN1KMT2ARAB9A
SCHEMBL1447584 0.74 CRHBP (0.47) CRHBPCRHR2MEN1KMT2ARAB9A
SCHEMBL3585312 0.72 TTR (0.41) CRHBPCRHR2MEN1KMT2ARAB9A

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 8 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
EP-2027091-B1 NEW PHARMACEUTICAL COMPOUNDS BIAL PORTELA & CA SA (PT) 2016-01-06 EP 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 1136/4885MEN1 3595/4885
US-20140024682-A1 PHARMACEUTICAL COMPOUNDS PMP22, CNR2, OPRL1 CRHBP 2476/4885CRHR2 1136/4885MEN1 3595/4885

“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.