SCHEMBL3580366

SCHEMBL3580366

O=[N+]([O-])c1cc(-c2nnc(-c3cccc(F)n3)o2)cc(O)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
COMT P21964 1/20 0.40
ALDH1A1 P00352 4/20 0.39
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TTR P02766 4/20 0.39
THRB P10828 3/20 0.39
GPR35 Q9HC97 3/20 0.39
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 3/20 0.39
RECQL P46063 3/20 0.39
KMT2A Q03164 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
LMNA P02545 2/20 0.39
BLM P54132 2/20 0.39
CYP2C9 P11712 2/20 0.39
HPGD P15428 2/20 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
SCHEMBL3587859 0.83 COMT (0.48) RAB9ANPC1CRHBPCRHR2COMT
SCHEMBL3590226 0.83 CRHBP (0.40) RAB9ACRHBPCRHR2COMTALDH1A1
SCHEMBL3586856 0.83 COMT (0.53) RAB9ANPC1CRHBPCRHR2COMT
SCHEMBL3589466 0.81 TTR (0.40) RAB9ACRHBPCRHR2COMTALDH1A1
SCHEMBL1447934 0.81 COMT (0.42) RAB9ANPC1CRHBPCRHR2COMT
SCHEMBL3583850 0.79 ALDH1A1 (0.43) RAB9ANPC1CRHBPCRHR2COMT
SCHEMBL3572796 0.79 COMT (0.42) RAB9ANPC1CRHBPCRHR2COMT
SCHEMBL3581807 0.78 CRHBP (0.39) RAB9ACRHBPCRHR2COMTALDH1A1
SCHEMBL3589540 0.77 TUBB4A (0.41) RAB9ACRHBPCRHR2COMTALDH1A1
SCHEMBL3590669 0.76 EIF4E (0.44) RAB9ACRHBPCRHR2ALDH1A1MAPT

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 RAB9A 2812/4885NPC1 90/4885CRHBP 2476/4885
US-20140024682-A1 PHARMACEUTICAL COMPOUNDS PMP22, CNR2, OPRL1 RAB9A 2812/4885NPC1 90/4885CRHBP 2476/4885

“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.