SCHEMBL5217409

SCHEMBL5217409

O=C(NC1CCCCC1)c1ccc2[nH]c(-c3ccc([N+](=O)[O-])cc3)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS12 P56730 1/20 0.54
CHEK2 O96017 4/20 0.53
MMP2 P08253 5/20 0.50
MMP9 P14780 5/20 0.50
MMP8 P22894 5/20 0.50
MMP13 P45452 4/20 0.50
NPBWR1 P48145 2/20 0.50
HTT P42858 3/20 0.49
MAPT P10636 2/20 0.49
NPC1 O15118 1/20 0.49
CASP3 P42574 1/20 0.49
RAB9A P51151 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
RIPK1 Q13546 1/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL14381437 0.94 MMP2 (0.61) PRSS12CHEK2MMP2MMP9MMP8
SCHEMBL14381482 0.94 MMP2 (0.61) PRSS12CHEK2MMP2MMP9MMP8
SCHEMBL14381457 0.93 MMP2 (0.61) PRSS12CHEK2MMP2MMP9MMP8
SCHEMBL14381759 0.90 PRSS12 (0.64) PRSS12CHEK2NPC1RAB9ALMNA
SCHEMBL14381787 0.90 PRSS12 (0.64) PRSS12CHEK2NPC1RAB9ALMNA
SCHEMBL14381814 0.90 PRSS12 (0.64) PRSS12CHEK2NPC1RAB9ALMNA
SCHEMBL14381762 0.90 PRSS12 (0.64) PRSS12CHEK2NPC1RAB9ALMNA
SCHEMBL14381760 0.88 PRSS12 (0.62) PRSS12CHEK2NPC1RAB9ALMNA
SCHEMBL14381772 0.86 PRSS12 (0.60) PRSS12CHEK2RAB9ARIPK1MEN1
SCHEMBL5223779 0.85 PRSS12 (0.58) PRSS12CHEK2MAPTRAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7282518-B2 Benzimidazole compounds for modulating IgE and inhibiting cellular proliferation AVANIR PHARMACEUTICALS (US) 2007-10-16 US disclosed
US-20070202133-A1 BENZIMIDAZOLE COMPOUNDS FOR MODULATING IgE AND INHIBITING CELLULAR PROLIFERATION SIRCAR JAGADISH C 2007-08-30 US disclosed
EP-1368028-B1 BENZIMIDAZOLE COMPOUNDS FOR MODULATING IGE AND INHIBITING CELLULAR PROLIFERATION AVANIR PHARMACEUTICALS (US) 2007-08-15 EP disclosed
US-20040214821-A1 Useful in the treatment of allergy and/or asthma or any diseases where Immunoglobulin E (IgE) is pathogenic; anticancer agents SIRCAR JAGADISH C (US) 2004-10-28 US disclosed
US-6759425-B2 USEFUL IN THE TREATMENT OF ALLERGY AND/OR ASTHMA OR ANY DISEASES WHERE IGE IS PATHOGENIC; ALSO ARE USEFUL AS ANTICANCER AGENTS. AVANIR PHARMACEUTICALS 2004-07-06 US disclosed
EP-1368028-A1 BENZIMIDAZOLE COMPOUNDS FOR MODULATING IGE AND INHIBITING CELLULAR PROLIFERATION AVANIR PHARMACEUTICALS (US) 2003-12-10 EP disclosed
WO-2002072090-A1 BENZIMIDAZOLE COMPOUNDS FOR MODULATING IGE AND INHIBITING CELLULAR PROLIFERATION AVANIR PHARMACEUTICALS (US) 2002-09-19 WO disclosed
US-20020132808-A1 Benzimidazole compounds for modulating IgE and inhibiting cellular proliferation AVANIR PHARMACEUTICALS 2002-09-19 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 (3 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-20070202133-A1 BENZIMIDAZOLE COMPOUNDS FOR MODULATING IgE AND INHIBITING CELLULAR PROLIFERATION MKI67, CMA1, CCNI PRSS12 3287/4885CHEK2 2484/4885MMP2 760/4885
US-20040214821-A1 Useful in the treatment of allergy and/or asthma or any diseases where Immunoglobulin E (IgE) is pathogenic; anticancer agents FCER2, CMA1, FCGR1A PRSS12 3362/4885CHEK2 3296/4885MMP2 532/4885
US-20020132808-A1 Benzimidazole compounds for modulating IgE and inhibiting cellular proliferation MKI67, CMA1, CCNI PRSS12 3287/4885CHEK2 2484/4885MMP2 760/4885

“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.