SCHEMBL5255237

SCHEMBL5255237

O=C(NC1CCCCC1)c1ccc(-c2nc3ccc(C(=O)NC4CCCCC4)cc3[nH]2)cc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRSS12 P56730 1/20 0.64
CHEK2 O96017 5/20 0.60
HDAC6 Q9UBN7 8/20 0.58
HDAC3 O15379 3/20 0.57
HDAC1 Q13547 3/20 0.57
HDAC8 Q9BY41 3/20 0.57
NR4A2 P43354 1/20 0.54
HDAC2 Q92769 1/20 0.54
CHEK1 O14757 1/20 0.53
LMNA P02545 1/20 0.52

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
SCHEMBL14381787 0.91 PRSS12 (0.64) PRSS12CHEK2CHEK1LMNA
SCHEMBL14381759 0.91 PRSS12 (0.64) PRSS12CHEK2CHEK1LMNA
SCHEMBL14381814 0.91 PRSS12 (0.64) PRSS12CHEK2CHEK1LMNA
SCHEMBL14381762 0.91 PRSS12 (0.64) PRSS12CHEK2CHEK1LMNA
SCHEMBL14381760 0.89 PRSS12 (0.62) PRSS12CHEK2HDAC6CHEK1LMNA
SCHEMBL14381772 0.87 PRSS12 (0.60) PRSS12CHEK2HDAC6HDAC3HDAC1
SCHEMBL14381830 0.85 PRSS12 (0.58) PRSS12CHEK2CHEK1LMNA
SCHEMBL14381836 0.85 PRSS12 (0.58) PRSS12CHEK2CHEK1LMNA
SCHEMBL14381817 0.85 PRSS12 (0.58) PRSS12CHEK2CHEK1LMNA
SCHEMBL14381791 0.85 PRSS12 (0.58) PRSS12CHEK2CHEK1LMNA

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 6 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
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 2484/4885HDAC6 406/4885
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 3296/4885HDAC6 1358/4885
US-20020132808-A1 Benzimidazole compounds for modulating IgE and inhibiting cellular proliferation MKI67, CMA1, CCNI PRSS12 3287/4885CHEK2 2484/4885HDAC6 406/4885

“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.