SCHEMBL3928064

SCHEMBL3928064

O=Cc1ccc(Oc2cccc(Cl)c2)c([N+](=O)[O-])c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.74
MEN1 O00255 4/20 0.74
KMT2A Q03164 4/20 0.74
LMNA P02545 3/20 0.67
ALDH1A1 P00352 3/20 0.67
VCAM1 P19320 1/20 0.52
PDE7A Q13946 1/20 0.51
EPAS1 Q99814 2/20 0.50
TTR P02766 1/20 0.50
MAPK1 P28482 2/20 0.47
HSP90AA1 P07900 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CHEK2 O96017 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
PAX8 Q06710 1/20 0.46
ALDH5A1 P51649 1/20 0.46
ABAT P80404 1/20 0.46
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
TBXA2R P21731 1/20 0.43

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
SCHEMBL2968752 0.90 KMT2A (0.74) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL6157958 0.85 MAPT (0.67) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL7823587 0.83 MAPT (0.69) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL7823591 0.83 MAPT (0.69) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL3845633 0.82 MEN1 (0.67) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL13220955 0.82 PDE7A (0.70) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL6748077 0.81 MAPT (0.62) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL6251002 0.81 TTR (0.62) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL13220963 0.81 MAPT (0.62) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL14744331 0.80 MEN1 (0.61) MAPTMEN1KMT2ALMNAALDH1A1

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-7504414-B2 Substituted benzimidazoles and imidazo-[4,5]-pyridines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2009-03-17 US disclosed
US-20080009493-A1 Substituted Benzimidazoles and Imidazo-[4,5]-Pyridines ARIENTI KRISTEN L 2008-01-10 US disclosed
US-7271261-B2 Substituted benzimidazoles and imidazo-[4,5]-pyridines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-09-18 US disclosed
EP-1435947-B1 2-PHENYL BENZIMIDAZOLES AND IMIDAZO-¬4,5|-PYRIDINES AS CDS1/CHK2-INHIBITORS AND ADJUVANTS TO CHEMOTHERAPY OR RADIATION THERAPY IN THE TREATMENT OF CANCER ORTHO MCNEIL PHARM INC (US) 2007-08-15 EP disclosed
EP-1435947-A1 2-PHENYL BENZIMIDAZOLES AND IMIDAZO-[4,5]-PYRIDINES AS CDS1/CHK2-INHIBITORS AND ADJUVANTS TO CHEMOTHERAPY OR RADIATION THERAPY IN THE TREATMENT OF CANCER Ortho-McNeil Pharmaceutical, Inc. (US) 2004-07-14 EP disclosed
US-20030176438-A1 Substituted benzimidazoles and imidazo-[4,5]-pyridines ORTHOMCNEIL PHARMACEUTICAL, INC. 2003-09-18 US disclosed
WO-2003032984-A1 2-PHENYL BENZIMIDAZOLES AND IMIDAZO-[4,5]-PYRIDINES AS CDSI/CHK2-INHIBITORS AND ADJUVANTS TO CHEMOTHERAPY OR RADIATION THERAPY IN THE TREATMENT OF CANCER ORTHO-MCNEIL PHARMACEUTICAL,INC. (US) 2003-04-24 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-20080009493-A1 Substituted Benzimidazoles and Imidazo-[4,5]-Pyridines CDKN1A, DDB1, TMBIM6 MAPT 4562/4885MEN1 1940/4885KMT2A 4404/4885
US-20030176438-A1 Substituted benzimidazoles and imidazo-[4,5]-pyridines CDK4, TMBIM6, CDS2 MAPT 4742/4885MEN1 2711/4885KMT2A 4367/4885

“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.