SCHEMBL14381933

SCHEMBL14381933

O=C(Nc1ccc(Cl)cc1)c1ccc(-c2nc3cc(C(=O)Nc4ccc(F)cc4)ccc3[nH]2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 1/20 0.66
▸ KDR P35968 2/20 0.65
▸ PRSS12 P56730 6/20 0.63
▸ HPSE Q9Y251 1/20 0.61
▸ MMP2 P08253 2/20 0.57
▸ MMP9 P14780 2/20 0.57
▸ MMP8 P22894 2/20 0.57
▸ MMP13 P45452 2/20 0.57
▸ DGAT1 O75907 1/20 0.55
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ RXFP1 Q9HBX9 1/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ ALDH1A1 P00352 1/20 0.52
▸ TP53 P04637 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 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
SCHEMBL14381565 1.00 CHEK2 (0.66) CHEK2KDRPRSS12HPSEMMP2
SCHEMBL14381526 1.00 CHEK2 (0.66) CHEK2KDRPRSS12HPSEMMP2
SCHEMBL14381564 0.94 CHEK2 (0.72) CHEK2KDRPRSS12HPSEMMP2
SCHEMBL14381764 0.94 HPSE (0.67) CHEK2KDRPRSS12HPSEMMP2
SCHEMBL14381525 0.94 HPSE (0.67) CHEK2KDRPRSS12HPSEMMP2
SCHEMBL14381919 0.91 KDR (0.62) CHEK2KDRPRSS12HPSEMMP2
SCHEMBL14381529 0.90 KDR (0.61) CHEK2KDRPRSS12HPSEMMP2
SCHEMBL14381560 0.90 PRSS12 (0.72) CHEK2KDRPRSS12HPSEMMP2
SCHEMBL14381521 0.90 MMP2 (0.71) CHEK2PRSS12HPSEMMP2MMP9
SCHEMBL14381554 0.90 HPSE (0.69) CHEK2PRSS12HPSEMMP2MMP9

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 4 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-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
US-20070202133-A1 BENZIMIDAZOLE COMPOUNDS FOR MODULATING IgE AND INHIBITING CELLULAR PROLIFERATION SIRCAR JAGADISH C 2007-08-30 — — 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 (1 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 CHEK2 2484/4885KDR 1406/4885PRSS12 3287/4885

“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.

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