SCHEMBL3590669

SCHEMBL3590669

O=[N+]([O-])c1cc(-c2csc(-c3cccc(F)n3)n2)cc(O)c1O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 16/20 0.44
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
THRB P10828 1/20 0.40
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 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
SCHEMBL1448329 0.83 EIF4E (0.41) EIF4ECRHBPCRHR2THRB
SCHEMBL3580664 0.82 EIF4E (0.48) EIF4ETHRBKDM4EALDH1A1MEN1
SCHEMBL3589876 0.81 EIF4E (0.47) EIF4ETHRBKDM4EALDH1A1MEN1
SCHEMBL3572796 0.80 COMT (0.42) CRHBPCRHR2THRBKDM4EALDH1A1
SCHEMBL1446795 0.79 EIF4E (0.46) EIF4ETHRB
SCHEMBL3589540 0.78 TUBB4A (0.41) CRHBPCRHR2THRBKDM4EALDH1A1
SCHEMBL7371604 0.78 MAPT (0.62) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL3589466 0.78 TTR (0.40) CRHBPCRHR2THRBKDM4EALDH1A1
SCHEMBL3590226 0.78 CRHBP (0.40) CRHBPCRHR2THRBKDM4EALDH1A1
SCHEMBL1447590 0.78 THRB (0.44) EIF4ETHRB

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 EIF4E 4154/4885CRHBP 2476/4885CRHR2 1136/4885
US-20140024682-A1 PHARMACEUTICAL COMPOUNDS PMP22, CNR2, OPRL1 EIF4E 4154/4885CRHBP 2476/4885CRHR2 1136/4885

“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.