SCHEMBL3099868

SCHEMBL3099868

CCN(CC)c1cc2[nH]c(-c3ccccc3)nc2cc1NC(=O)CCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 12/20 0.62
▸ MMP9 P14780 11/20 0.62
▸ MMP8 P22894 11/20 0.62
▸ MMP13 P45452 8/20 0.62
▸ MMP3 P08254 1/20 0.60
▸ ADORA3 P0DMS8 1/20 0.48
▸ ADORA2A P29274 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ IKBKB O14920 1/20 0.44
▸ PRCP P42785 2/20 0.43

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
SCHEMBL3096830 0.91 MMP2 (0.49) MMP2MMP9MMP8MMP13MMP3
SCHEMBL11949004 0.89 MMP2 (0.48) MMP2MMP9MMP8MMP13MMP3
SCHEMBL3098570 0.83 MMP2 (0.57) MMP2MMP9MMP8MMP13KDM4E
SCHEMBL3096806 0.83 RAF1 (0.49) MMP2MMP9MMP8MMP13MMP3
SCHEMBL3099855 0.82 CYP2D6 (0.48) MMP2MMP9MMP8MMP13MMP3
SCHEMBL11949014 0.81 EGFR (0.53) MMP2MMP9MMP8MMP13MMP3
SCHEMBL11949031 0.80 NR4A2 (0.48) MMP2MMP9MMP8MMP13ADORA3
SCHEMBL11948994 0.80 EGFR (0.52) MMP2MMP9MMP8MMP13KDM4E
SCHEMBL11957177 0.80 MMP2 (0.51) MMP2MMP9MMP8MMP13KDM4E
SCHEMBL3104076 0.80 MMP2 (0.59) MMP2MMP9MMP8MMP13ADORA3

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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