SCHEMBL6330688

SCHEMBL6330688

Cc1cccc2nc(-c3ccc([N+](=O)[O-])cc3)[nH]c12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.62
MMP9 P14780 4/20 0.62
MMP8 P22894 4/20 0.62
TNKS O95271 3/20 0.60
TNKS2 Q9H2K2 3/20 0.60
PARP1 P09874 1/20 0.60
GUSB P08236 3/20 0.58
PARP2 Q9UGN5 2/20 0.58
NLRP3 Q96P20 1/20 0.58
MMP13 P45452 3/20 0.56
MAPT P10636 4/20 0.55
RAB9A P51151 4/20 0.55
NPC1 O15118 3/20 0.55
HTT P42858 3/20 0.55
CASP3 P42574 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
NPBWR1 P48145 8/20 0.53
SMN1; SMN2 Q16637 3/20 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
SCHEMBL6322779 0.83 MMP2 (0.60) MMP2MMP9MMP8TNKSTNKS2
SCHEMBL15775528 0.83 TNKS (0.66) MMP2MMP9MMP8TNKSTNKS2
SCHEMBL12636735 0.81 TNKS (0.54) TNKSTNKS2PARP1MAPTRAB9A
Hydrochloric Acid SCHEMBL28062540 0.80 MMP2 (0.58) MMP2MMP9MMP8TNKSTNKS2
SCHEMBL15546252 0.80 NPBWR1 (0.57) MMP2MMP9MMP8MMP13MAPT
SCHEMBL6368201 0.79 NPC1 (0.55) TNKSTNKS2PARP1MAPTRAB9A
SCHEMBL3580405 0.79 MMP2 (0.50) MMP2MMP9MMP8TNKSTNKS2
SCHEMBL6325048 0.78 ALDH1A1 (0.57) MMP2MMP9MMP8TNKSTNKS2
SCHEMBL13405985 0.78 MGAM (0.59) TNKSTNKS2PARP1GUSBRAB9A
SCHEMBL14091252 0.78 NPC1 (0.53) TNKSTNKS2PARP1MAPTRAB9A

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-20050277686-A1 Benzimidazole compounds for regulating IgE SIRCAR JAGADISH C 2005-12-15 US disclosed
EP-1555020-A2 Benzimidazole derivatives as modulators IgE Avanir Pharmaceuticals (US) 2005-07-20 EP disclosed
US-6919366-B2 Benzimidazole derivatives as modulators of IgE AVANIR PHARMACEUTICALS (US) 2005-07-19 US disclosed
US-6911462-B2 Benzimidazole compounds for regulating IgE AVANIR PHARMACEUTICALS (US) 2005-06-28 US disclosed
US-20050075343-A1 Benzimidazole derivatives as modulators of IgE SIRCAR JAGADISH C (US) 2005-04-07 US disclosed
EP-1077700-B1 BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF IgE AVANIR PHARMACEUTICALS (US) 2005-04-06 EP disclosed
US-20030100582-A1 Benzimidazole compounds for regulating IgE AVANIR PHARMACEUTICALS 2003-05-29 US disclosed
US-20030004203-A1 Benzimidazole derivatives as modulators of IgE AVANIR PHARMACEUTICALS 2003-01-02 US disclosed
US-6369091-B1 ANTIALLERGENS AVANIR PHARMACEUTICALS 2002-04-09 US disclosed
US-6303645-B1 USEFUL IN THERAPY OF ALLERGY AND/OR ASTHMA OR ANY DISEASES WHERE IMMUNOGLOBULIN E (IGE) IS PATHOGENIC AVANIR PHARMACEUTICALS 2001-10-16 US disclosed
EP-1079830-A1 BENZIMIDAZOLE ANALOGS AS DOWN-REGULATORS OF IgE Avanir Pharmaceuticals (US) 2001-03-07 EP disclosed
EP-1077700-A1 BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF IgE Avanir Pharmaceuticals (US) 2001-02-28 EP disclosed
WO-1999061019-A1 BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF IgE AVANIR PHARMACEUTICALS (US) 1999-12-02 WO disclosed
WO-1999061020-A1 BENZIMIDAZOLE ANALOGS AS DOWN-REGULATORS OF IgE AVANIR PHARMACEUTICALS (US) 1999-12-02 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 (4 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-20030100582-A1 Benzimidazole compounds for regulating IgE FCER2, SERPINB1, BRPF3 MMP2 2298/4885MMP9 3664/4885MMP8 1296/4885
US-20050277686-A1 Benzimidazole compounds for regulating IgE FCER2, SERPINB1, BRPF3 MMP2 2298/4885MMP9 3664/4885MMP8 1296/4885
US-20030004203-A1 Benzimidazole derivatives as modulators of IgE IGF1R, IGFBP1, IGFBP4 MMP2 917/4885MMP9 2831/4885MMP8 1167/4885
US-20050075343-A1 Benzimidazole derivatives as modulators of IgE FCER2, HRH4, DBI MMP2 1792/4885MMP9 3299/4885MMP8 968/4885

“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.