SCHEMBL11949004

SCHEMBL11949004

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 6/20 0.48
▸ MMP9 P14780 5/20 0.48
▸ MMP8 P22894 5/20 0.48
▸ MMP13 P45452 5/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ ADORA1 P30542 2/20 0.48
▸ MMP3 P08254 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ PKM P14618 1/20 0.46

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 0.94 MMP2 (0.49) MMP2MMP9MMP8MMP13KDM4E
SCHEMBL11948994 0.91 EGFR (0.52) MMP2MMP9MMP8MMP13KDM4E
SCHEMBL11949036 0.90 NR4A2 (0.47) MMP2MMP9MMP8MMP13
SCHEMBL3099868 0.89 MMP2 (0.62) MMP2MMP9MMP8MMP13KDM4E
SCHEMBL11949028 0.88 KDR (0.49) KDM4EALDH1A1HPGD
SCHEMBL3097365 0.85 SMN1; SMN2 (0.46) MMP2MMP9MMP8MMP13KDM4E
SCHEMBL11949049 0.84 HDAC6 (0.45) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL11949014 0.84 EGFR (0.53) MMP2MMP9MMP8MMP13KDM4E
SCHEMBL3098570 0.84 MMP2 (0.57) MMP2MMP9MMP8MMP13KDM4E
SCHEMBL11949031 0.83 NR4A2 (0.48) MMP2MMP9MMP8MMP13ADORA1

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 4 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-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

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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