SCHEMBL5223779

SCHEMBL5223779

Nc1ccc(-c2nc3cc(C(=O)NC4CCCCC4)ccc3[nH]2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS12 P56730 1/20 0.58
LMNA P02545 1/20 0.51
SMYD3 Q9H7B4 3/20 0.51
CHEK2 O96017 5/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
RAB9A P51151 1/20 0.47
CHEK1 O14757 1/20 0.47
MLLT1 Q03111 1/20 0.46
MAPT P10636 1/20 0.45
DHODH Q02127 1/20 0.44
TP53 P04637 1/20 0.44
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
POLB P06746 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP1 P29466 1/20 0.43
PTPN7 P35236 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 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
SCHEMBL14381759 0.93 PRSS12 (0.64) PRSS12LMNASMYD3CHEK2SMN1; SMN2
SCHEMBL14381762 0.93 PRSS12 (0.64) PRSS12LMNASMYD3CHEK2SMN1; SMN2
SCHEMBL14381787 0.93 PRSS12 (0.64) PRSS12LMNASMYD3CHEK2SMN1; SMN2
SCHEMBL14381814 0.93 PRSS12 (0.64) PRSS12LMNASMYD3CHEK2SMN1; SMN2
SCHEMBL14381760 0.92 PRSS12 (0.62) PRSS12LMNASMYD3CHEK2SMN1; SMN2
SCHEMBL14381772 0.90 PRSS12 (0.60) PRSS12SMYD3CHEK2SMN1; SMN2RAB9A
SCHEMBL14381817 0.87 PRSS12 (0.58) PRSS12LMNASMYD3CHEK2SMN1; SMN2
SCHEMBL14381830 0.87 PRSS12 (0.58) PRSS12LMNASMYD3CHEK2SMN1; SMN2
SCHEMBL28752333 0.87 SMN1; SMN2 (0.57) PRSS12LMNASMYD3CHEK2SMN1; SMN2
SCHEMBL14381836 0.87 PRSS12 (0.58) PRSS12LMNASMYD3CHEK2SMN1; SMN2

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 3287/4885LMNA 4667/4885SMYD3 1381/4885
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 3362/4885LMNA 4477/4885SMYD3 2973/4885
US-20020132808-A1 Benzimidazole compounds for modulating IgE and inhibiting cellular proliferation MKI67, CMA1, CCNI PRSS12 3287/4885LMNA 4667/4885SMYD3 1381/4885

“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.