SCHEMBL3919973

SCHEMBL3919973

O=C(O)c1ccc2[nH]c(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)nc2c1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 11/20 0.84
NPBWR1 P48145 2/20 0.55
MMP2 P08253 2/20 0.54
MMP9 P14780 2/20 0.54
MMP8 P22894 2/20 0.54
NPC1 O15118 2/20 0.54
MAPT P10636 2/20 0.54
HTT P42858 2/20 0.54
RAB9A P51151 2/20 0.54
CASP3 P42574 1/20 0.54
MMP13 P45452 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
SRD5A2 P31213 1/20 0.53
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53

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
SCHEMBL5217712 0.93 CHEK2 (0.71) CHEK2NPBWR1MMP2MMP9MMP8
SCHEMBL6643380 0.91 CHEK2 (1.00) CHEK2NPBWR1MMP2MMP9MMP8
SCHEMBL3926215 0.90 CHEK2 (0.84) CHEK2MEN1KMT2A
SCHEMBL3926681 0.86 CHEK2 (0.81) CHEK2NPC1RAB9AKMT2AKDM4E
SCHEMBL3195153 0.86 CHEK2 (0.65) CHEK2NPBWR1MMP2MMP9MMP8
SCHEMBL5634681 0.84 CHEK2 (0.70) CHEK2NPBWR1MMP2MMP9MMP8
SCHEMBL3916748 0.84 CHEK2 (0.82) CHEK2NPC1MAPTRAB9AMEN1
SCHEMBL3917341 0.84 CHEK2 (0.67) CHEK2MEN1KMT2AKDM4E
SCHEMBL3918305 0.84 CHEK2 (0.82) CHEK2KMT2AKDM4E
SCHEMBL3919705 0.84 CHEK2 (0.67) CHEK2MMP2MMP9MMP8MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7271261-B2 Substituted benzimidazoles and imidazo-[4,5]-pyridines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-09-18 US claimed
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 claimed
US-7504414-B2 Substituted benzimidazoles and imidazo-[4,5]-pyridines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2009-03-17 US disclosed
US-7504414-B2 Substituted benzimidazoles and imidazo-[4,5]-pyridines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2009-03-17 US disclosed
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-20080009493-A1 Substituted Benzimidazoles and Imidazo-[4,5]-Pyridines ARIENTI KRISTEN L 2008-01-10 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
US-7271261-B2 Substituted benzimidazoles and imidazo-[4,5]-pyridines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-09-18 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-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
US-20030176438-A1 Substituted benzimidazoles and imidazo-[4,5]-pyridines ORTHOMCNEIL PHARMACEUTICAL, INC. 2003-09-18 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 (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 CHEK2 14/4885NPBWR1 4160/4885MMP2 4666/4885
US-20030176438-A1 Substituted benzimidazoles and imidazo-[4,5]-pyridines CDK4, TMBIM6, CDS2 CHEK2 12/4885NPBWR1 4503/4885MMP2 4155/4885

“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.