SCHEMBL516475

SCHEMBL516475

COc1ccc(Cn2nc(Oc3ccc([N+](=O)[O-])cc3F)c3ccccc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.54
CNR1 P21554 6/20 0.54
ACHE P22303 6/20 0.50
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
BUB1 O43683 3/20 0.44
MEN1 O00255 1/20 0.42
CRHBP P24387 1/20 0.42
KMT2A Q03164 1/20 0.42
CRHR2 Q13324 1/20 0.42
PTGER4 P35408 1/20 0.42

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
SCHEMBL15385072 0.84 CNR2 (0.60) CNR2CNR1ACHEBUB1PTGER4
SCHEMBL516714 0.83 CNR2 (0.59) CNR2CNR1ACHEBUB1PTGER4
SCHEMBL516738 0.83 CNR2 (0.67) CNR2CNR1ACHEBUB1PTGER4
SCHEMBL1163283 0.75 CNR2 (0.56) CNR2CNR1ACHEMAPTSMN1; SMN2
SCHEMBL27800056 0.75 CNR2 (0.80) CNR2CNR1ACHESMN1; SMN2BUB1
SCHEMBL30310245 0.75 MAPT (0.43) CNR2CNR1ACHEMAPTSMN1; SMN2
SCHEMBL1943821 0.75 MAPT (0.43) CNR2CNR1ACHEMAPTSMN1; SMN2
SCHEMBL27761975 0.75 MAPT (0.45) MAPTSMN1; SMN2MEN1CRHBPKMT2A
SCHEMBL3101505 0.75 MAPT (0.45) CNR2CNR1ACHEMAPTSMN1; SMN2
SCHEMBL27761974 0.75 SCN9A (0.46) CNR2MAPTSMN1; SMN2MEN1CRHBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130303559-A1 BENZIMIDAZOLE AND PYRAZOLOPYRIDINE DERIVATIVES FOR TREATING AND/OR PREVENTING CARDIOVASCULAR DISEASES BAYER IP GMBH (DE) 2013-11-14 US disclosed
US-20130303559-A1 BENZIMIDAZOLE AND PYRAZOLOPYRIDINE DERIVATIVES FOR TREATING AND/OR PREVENTING CARDIOVASCULAR DISEASES BAYER IP GMBH (DE) 2013-11-14 US disclosed
US-20120029002-A1 BENZIMIDAZOLE AND PYRAZOLOPYRIDINE DERIVATIVES FOR TREATING AND/OR PREVENTING CARDIOVASCULAR DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-02 US disclosed
US-20120029002-A1 BENZIMIDAZOLE AND PYRAZOLOPYRIDINE DERIVATIVES FOR TREATING AND/OR PREVENTING CARDIOVASCULAR DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-02 US disclosed
WO-2010079120-A1 BENZIMIDAZOLE AND PYRAZOLOPYRIDINE DERIVATIVES FOR TREATING AND/OR PREVENTING CARDIOVASCULAR DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-07-15 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-20120029002-A1 BENZIMIDAZOLE AND PYRAZOLOPYRIDINE DERIVATIVES FOR TREATING AND/OR PREVENTING CARDIOVASCULAR DISEASES PKM, BRD3, TNNI3 CNR2 3885/4885CNR1 4392/4885ACHE 1883/4885
US-20130303559-A1 BENZIMIDAZOLE AND PYRAZOLOPYRIDINE DERIVATIVES FOR TREATING AND/OR PREVENTING CARDIOVASCULAR DISEASES PKM, BRD3, TNNI3 CNR2 3885/4885CNR1 4392/4885ACHE 1883/4885

“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.