SCHEMBL11949022

SCHEMBL11949022

CCN(CC)c1cc2[nH]c(-c3ccc(OC)cc3)nc2cc1NC(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRSS12 P56730 1/20 0.58
▸ MMP2 P08253 2/20 0.53
▸ MMP9 P14780 2/20 0.53
▸ MMP8 P22894 2/20 0.53
▸ MMP13 P45452 2/20 0.53
▸ CHEK2 O96017 6/20 0.53
▸ COMT P21964 1/20 0.52
▸ MAPT P10636 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ NFKB2 Q00653 1/20 0.50
▸ RELA Q04206 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50

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
SCHEMBL3104223 0.96 PRSS12 (0.58) PRSS12MMP2MMP9MMP8MMP13
SCHEMBL11949020 0.95 PRSS12 (0.61) PRSS12CHEK2COMTMAPT
SCHEMBL11949033 0.91 PRSS12 (0.57) PRSS12MMP2MMP9MMP8MMP13
SCHEMBL3098570 0.91 MMP2 (0.57) PRSS12MMP2MMP9MMP8MMP13
SCHEMBL11949041 0.91 PRSS12 (0.56) PRSS12CHEK2COMTMAPTKDM4E
SCHEMBL11956441 0.91 PRSS12 (0.56) PRSS12CHEK2COMTMAPT
SCHEMBL11949023 0.91 PRSS12 (0.61) PRSS12CHEK2COMT
SCHEMBL11949029 0.91 PRSS12 (0.56) PRSS12CHEK2COMTMAPTKDM4E
SCHEMBL11949024 0.91 PRSS12 (0.56) PRSS12MMP2MMP9MMP8MMP13
SCHEMBL11956752 0.89 MMP2 (0.56) PRSS12MMP2MMP9MMP8MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232410-B2 Benzimidazoles and pharmaceutical compositions thereof THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2012-07-31 — — US disclosed
US-20100256203-A1 BENZIMIDAZOLES AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2010-10-07 — — US disclosed
WO-2008130669-A1 BENZIMIDAZOLES AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2008-10-30 — — 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 (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-20100256203-A1 BENZIMIDAZOLES AND PHARMACEUTICAL COMPOSITIONS THEREOF TBCD, TBC1D5, CFTR PRSS12 2766/4885MMP2 4155/4885MMP9 4514/4885

“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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