SCHEMBL3096830

SCHEMBL3096830

CCCC(=O)Nc1cc2nc(-c3ccccc3)[nH]c2cc1N(CC)CC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 6/20 0.49
▸ MMP9 P14780 6/20 0.49
▸ MMP8 P22894 6/20 0.49
▸ MMP13 P45452 4/20 0.49
▸ ADORA1 P30542 2/20 0.49
▸ ADORA3 P0DMS8 1/20 0.49
▸ ADORA2A P29274 1/20 0.49
▸ MMP3 P08254 1/20 0.48
▸ PKM P14618 1/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ IKBKB O14920 1/20 0.46
▸ CHEK2 O96017 1/20 0.46
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ HDAC3 O15379 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL11949004 0.94 MMP2 (0.48) MMP2MMP9MMP8MMP13ADORA1
SCHEMBL3099868 0.91 MMP2 (0.62) MMP2MMP9MMP8MMP13ADORA3
SCHEMBL11949014 0.90 EGFR (0.53) MMP2MMP9MMP8MMP13ADORA1
SCHEMBL11949031 0.89 NR4A2 (0.48) MMP2MMP9MMP8MMP13ADORA1
SCHEMBL11949021 0.88 KDR (0.51) ADORA3CHEK2NPC1LMNAMAPT
SCHEMBL3098570 0.86 MMP2 (0.57) MMP2MMP9MMP8MMP13IKBKB
SCHEMBL11948994 0.84 EGFR (0.52) MMP2MMP9MMP8MMP13CHEK2
SCHEMBL3103864 0.84 TUBB4A (0.45) MMP2MMP9MMP8MMP13MMP3
SCHEMBL11949051 0.84 ADORA3 (0.50) ADORA1ADORA3HDAC6KDM4EALDH1A1
SCHEMBL11949036 0.83 NR4A2 (0.47) 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 3 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-20100256203-A1 BENZIMIDAZOLES AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2010-10-07 — — 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-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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