SCHEMBL3104359

SCHEMBL3104359

CCN(CC)c1cc2[nH]c(-c3ccccc3)nc2cc1NC(=O)c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PRSS12 P56730 13/20 0.55
▸ CHEK2 O96017 3/20 0.53
▸ SIRT2 Q8IXJ6 1/20 0.51
▸ SIRT1 Q96EB6 1/20 0.51
▸ SIRT3 Q9NTG7 1/20 0.51
▸ MMP2 P08253 1/20 0.50
▸ MMP9 P14780 1/20 0.50
▸ MMP8 P22894 1/20 0.50
▸ MMP13 P45452 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
SCHEMBL3098570 0.93 MMP2 (0.57) PRSS12CHEK2MMP2MMP9MMP8
SCHEMBL3104076 0.91 MMP2 (0.59) PRSS12CHEK2MMP2MMP9MMP8
SCHEMBL11957177 0.91 MMP2 (0.51) PRSS12CHEK2MMP2MMP9MMP8
SCHEMBL11949007 0.90 MMP2 (0.58) PRSS12CHEK2SIRT2MMP2MMP9
SCHEMBL14046805 0.90 HDAC3 (0.52) PRSS12CHEK2MMP2MMP9MMP8
SCHEMBL11949005 0.90 NR4A2 (0.52) PRSS12CHEK2MMP2MMP9MMP8
SCHEMBL3099694 0.89 HDAC6 (0.56) PRSS12CHEK2MMP2MMP9MMP8
SCHEMBL11949023 0.89 PRSS12 (0.61) PRSS12CHEK2SIRT2SIRT1SIRT3
SCHEMBL3104223 0.88 PRSS12 (0.58) PRSS12CHEK2MMP2MMP9MMP8
SCHEMBL11956752 0.87 MMP2 (0.56) PRSS12CHEK2MMP2MMP9MMP8

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
EP-2154966-B1 BENZIMIDAZOLES AND PHARMACEUTICAL COMPOSITIONS THEREOF UNIV NEW YORK STATE RES FOUND (US) 2013-08-21 — — EP disclosed
US-8232410-B2 Benzimidazoles and pharmaceutical compositions thereof THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2012-07-31 — — US disclosed
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
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 2766/4885CHEK2 3766/4885SIRT2 1501/4885

“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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