SCHEMBL3581595

SCHEMBL3581595

O=[N+]([O-])c1cc(-c2nc(-c3cccnc3C(F)(F)F)no2)cc(OCc2ccccc2)c1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 6/20 0.47
RXFP1 Q9HBX9 2/20 0.46
S1PR1 P21453 3/20 0.43
TP53 P04637 4/20 0.43
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 3/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL1447240 0.94 POLB (0.46) POLBRXFP1S1PR1TP53HPGD
SCHEMBL3924176 0.85 CYP19A1 (0.43) POLBRXFP1MAPTNPC1RAB9A
SCHEMBL1447432 0.83 POLB (0.59) POLBTP53MAPTNPC1RAB9A
SCHEMBL1447848 0.83 POLB (0.42) POLBRXFP1S1PR1TP53KDM4E
SCHEMBL3590056 0.82 EIF4E (0.44)
SCHEMBL1447215 0.80 POLB (0.43) POLBRXFP1S1PR1TP53HPGD
SCHEMBL1447229 0.80 S1PR1 (0.46) POLBRXFP1S1PR1TP53HPGD
SCHEMBL3581708 0.80 TUBB4A (0.41) NPC1RAB9A
SCHEMBL1446786 0.79 POLB (0.48) POLBRXFP1TP53HPGDMAPT
SCHEMBL1448001 0.78 POLB (0.46) POLBRXFP1S1PR1TP53MAPT

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 POLB 3382/4885RXFP1 3175/4885S1PR1 1891/4885
US-20140024682-A1 PHARMACEUTICAL COMPOUNDS PMP22, CNR2, OPRL1 POLB 3382/4885RXFP1 3175/4885S1PR1 1891/4885

“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.