SCHEMBL940945

SCHEMBL940945

O=[N+]([O-])/C=C/c1ccncc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 13/20 0.63
VCP P55072 1/20 0.61
MAPT P10636 3/20 0.60
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
EGFR P00533 2/20 0.59
ALDH1A1 P00352 2/20 0.53
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TLR4 O00206 2/20 0.51
TLR2 O60603 2/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ABL1 P00519 1/20 0.48
ABL2 P42684 1/20 0.48

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
SCHEMBL940946 1.00 FBP1 (0.63) FBP1VCPMAPTNPC1RAB9A
SCHEMBL6910818 0.84 FBP1 (0.78) FBP1VCPMAPTEGFRALDH1A1
SCHEMBL6910815 0.84 FBP1 (0.78) FBP1VCPMAPTEGFRALDH1A1
(2-Nitrovinyl)Benzene SCHEMBL30591 0.77 FBP1 (1.00) FBP1VCPEGFRALDH1A1LMNA
(2-Nitrovinyl)Benzene SCHEMBL18132133 0.77 FBP1 (1.00) FBP1VCPEGFRALDH1A1LMNA
(2-Nitrovinyl)Benzene SCHEMBL1226359 0.77 FBP1 (1.00) FBP1VCPEGFRALDH1A1LMNA
(2-Nitrovinyl)Benzene SCHEMBL1226357 0.77 FBP1 (1.00) FBP1VCPEGFRALDH1A1LMNA
SCHEMBL19088017 0.77 FBP1 (1.00) FBP1VCPEGFRALDH1A1LMNA
(2-Nitrovinyl)Benzene SCHEMBL30590 0.77 FBP1 (1.00) FBP1VCPEGFRALDH1A1LMNA
(2-Nitrovinyl)Benzene SCHEMBL28065845 0.77 FBP1 (1.00) FBP1VCPEGFRALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2440542-B1 Substituted benzimidazoles, benzonthiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2013-12-18 EP disclosed
US-8232288-B2 Substituted benzimidazoles, benzothiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2012-07-31 US disclosed
US-8232288-B2 Substituted benzimidazoles, benzothiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2012-07-31 US disclosed
US-8232288-B2 Substituted benzimidazoles, benzothiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2012-07-31 US disclosed
EP-2440542-A1 SUBSTITUTED BENZIMIDAZOLES, BENZOTHIAZOLES AND BENZOXAZOLES Grünenthal GmbH (DE) 2012-04-18 EP disclosed
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles GRUENENTHAL GMBH (DE) 2011-01-13 US disclosed
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles GRUENENTHAL GMBH (DE) 2011-01-13 US disclosed
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles GRUENENTHAL GMBH (DE) 2011-01-13 US disclosed
WO-2010142402-A1 SUBSTITUTED BENZIMIDAZOLES, BENZOTHIAZOLES AND BENZOXAZOLES Grünenthal GmbH (DE) 2010-12-16 WO disclosed
WO-2010142402-A1 SUBSTITUTED BENZIMIDAZOLES, BENZOTHIAZOLES AND BENZOXAZOLES Grünenthal GmbH (DE) 2010-12-16 WO disclosed
US-7332622-B2 Process for preparing optically active nitro compounds and cyano compounds KANTO KAGUKU KABUSHIKI KAISHA (JP) 2008-02-19 US 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 (1 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-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles BDKRB1, BDKRB2, BRD1 FBP1 816/4885VCP 2347/4885MAPT 810/4885

“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.