SCHEMBL11949054

SCHEMBL11949054

CCN(CC)c1cc2[nH]c(-c3ccccc3OC)nc2cc1NC(=O)c1ccc(C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRPF1 P55201 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ MMP2 P08253 1/20 0.44
▸ MMP9 P14780 1/20 0.44
▸ MMP8 P22894 1/20 0.44
▸ MMP13 P45452 1/20 0.44
▸ ABL1 P00519 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ HPSE Q9Y251 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CHEK2 O96017 1/20 0.42
▸ F2 P00734 1/20 0.41
▸ F10 P00742 1/20 0.41

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
SCHEMBL11948998 0.94 HDAC6 (0.48) BRPF1HDAC6MMP2MMP9MMP8
SCHEMBL3106553 0.93 HDAC6 (0.48) BRPF1HDAC6ABL1NPC1RAB9A
SCHEMBL11957169 0.93 HDAC6 (0.48) BRPF1HDAC6ABL1ALDH1A1HPGD
SCHEMBL3097397 0.92 MEN1 (0.48) BRPF1HDAC6ABL1ALDH1A1KDM4E
SCHEMBL11949058 0.92 HDAC6 (0.50) BRPF1HDAC6MMP2MMP9MMP8
SCHEMBL11949066 0.91 HDAC6 (0.47) BRPF1HDAC6ABL1ALDH1A1HPGD
SCHEMBL11949059 0.91 HDAC6 (0.51) BRPF1HDAC6ALDH1A1HPSENPC1
SCHEMBL11949062 0.90 BRPF1 (0.58) BRPF1HDAC6ABL1HPGDKDM4E
SCHEMBL11957176 0.89 HDAC6 (0.52) BRPF1HDAC6ABL1HPSENPC1
SCHEMBL14046896 0.87 BRPF1 (0.51) BRPF1HDAC6ABL1ALDH1A1HPGD

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 5 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
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 BRPF1 266/4885HDAC6 47/4885MMP2 4155/4885

“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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