SCHEMBL3915656

SCHEMBL3915656

CC(=O)Nc1cc(Cl)c(C(N)=O)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.56
NPSR1 Q6W5P4 2/20 0.48
POLB P06746 2/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 2/20 0.48
GALR2 O43603 1/20 0.48
MITF O75030 1/20 0.48
HSP90AA1 P07900 1/20 0.48
HPGD P15428 1/20 0.48
XBP1 P17861 1/20 0.48
CCR6 P51684 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 2/20 0.48
KMT2A Q03164 3/20 0.47
HTT P42858 2/20 0.46
CDK5 Q00535 1/20 0.45
CDK5R1 Q15078 1/20 0.45
PDE7A Q13946 1/20 0.43
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL21989034 0.88 SLC9A1 (0.52) SLC9A1NPSR1POLBALDH1A1LMNA
SCHEMBL3915677 0.87 SLC9A1 (0.51) SLC9A1NPSR1POLBALDH1A1LMNA
SCHEMBL8513944 0.85 MAPT (0.55) SLC9A1NPSR1POLBALDH1A1LMNA
SCHEMBL6492987 0.84 LMNA (0.53) SLC9A1NPSR1POLBALDH1A1LMNA
SCHEMBL27796244 0.83 SLC9A1 (0.56) SLC9A1NPSR1POLBALDH1A1LMNA
SCHEMBL863876 0.81 SLC9A1 (0.53) SLC9A1NPSR1POLBALDH1A1LMNA
SCHEMBL11252461 0.79 MAPT (0.50) SLC9A1NPSR1POLBALDH1A1LMNA
SCHEMBL6167927 0.79 MAPT (0.50) SLC9A1NPSR1POLBALDH1A1LMNA
SCHEMBL8611539 0.79 SLC9A1 (0.64) SLC9A1NPSR1POLBALDH1A1LMNA
SCHEMBL7375343 0.78 SLC9A1 (0.61) SLC9A1NPSR1POLBALDH1A1LMNA

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 SLC9A1 2931/4885NPSR1 1746/4885POLB 2111/4885
US-20030176438-A1 Substituted benzimidazoles and imidazo-[4,5]-pyridines CDK4, TMBIM6, CDS2 SLC9A1 3376/4885NPSR1 1426/4885POLB 2631/4885

“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.