SCHEMBL3104076

SCHEMBL3104076

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 5/20 0.59
▸ MMP9 P14780 5/20 0.59
▸ MMP8 P22894 5/20 0.59
▸ MMP13 P45452 4/20 0.59
▸ CHEK2 O96017 5/20 0.51
▸ HDAC3 O15379 1/20 0.50
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC8 Q9BY41 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ IKBKB O14920 1/20 0.50
▸ PRSS12 P56730 2/20 0.48
▸ ADORA3 P0DMS8 1/20 0.48
▸ ADORA2A P29274 1/20 0.48
▸ ADORA1 P30542 1/20 0.48
▸ MAPT P10636 2/20 0.47
▸ EGFR P00533 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ POLB P06746 1/20 0.47

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
SCHEMBL11949012 0.96 MMP2 (0.64) MMP2MMP9MMP8MMP13CHEK2
SCHEMBL11948988 0.95 MMP2 (0.56) MMP2MMP9MMP8MMP13CHEK2
SCHEMBL3098570 0.94 MMP2 (0.57) MMP2MMP9MMP8MMP13CHEK2
SCHEMBL11957177 0.92 MMP2 (0.51) MMP2MMP9MMP8MMP13CHEK2
SCHEMBL11949007 0.91 MMP2 (0.58) MMP2MMP9MMP8MMP13CHEK2
SCHEMBL14046805 0.91 HDAC3 (0.52) MMP2MMP9MMP8MMP13CHEK2
SCHEMBL3104359 0.91 PRSS12 (0.55) MMP2MMP9MMP8MMP13CHEK2
SCHEMBL11949005 0.91 NR4A2 (0.52) MMP2MMP9MMP8MMP13CHEK2
SCHEMBL11949009 0.90 MMP2 (0.52) MMP2MMP9MMP8MMP13CHEK2
SCHEMBL3099694 0.90 HDAC6 (0.56) MMP2MMP9MMP8MMP13CHEK2

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
WO-2013142326-A1 5-CARBONYLAMINO-/(SULFONAMIDO-) SUBSTITUTED BENZ IMIDAZOLES AND USE THEREOF TREATMENT OF TUBERCULOSIS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2013-09-26 — — WO disclosed
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-20100256203-A1 BENZIMIDAZOLES AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2010-10-07 — — US disclosed
EP-2154966-A1 BENZIMIDAZOLES AND PHARMACEUTICAL COMPOSITIONS THEREOF The Research Foundation Of State University Of New York (US) 2010-02-24 — — EP 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 MMP2 4155/4885MMP9 4514/4885MMP8 1359/4885

“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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