SCHEMBL11949058

SCHEMBL11949058

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

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 2/20 0.50
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ HPSE Q9Y251 4/20 0.45
▸ AMY1A P0DUB6 2/20 0.44
▸ BRPF1 P55201 1/20 0.44
▸ MMP2 P08253 3/20 0.43
▸ MMP9 P14780 3/20 0.43
▸ MMP8 P22894 3/20 0.43
▸ MMP13 P45452 3/20 0.43
▸ ABL1 P00519 1/20 0.42
▸ SIRT2 Q8IXJ6 1/20 0.42
▸ HDAC3 O15379 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC8 Q9BY41 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 0.93 HDAC6 (0.48) HDAC6MEN1KMT2AALDH1A1BRPF1
SCHEMBL3106553 0.92 HDAC6 (0.48) HDAC6MEN1KMT2ABRPF1ABL1
SCHEMBL11957169 0.92 HDAC6 (0.48) HDAC6MEN1KMT2AALDH1A1HPSE
SCHEMBL11949054 0.92 BRPF1 (0.48) HDAC6MEN1KMT2AALDH1A1HPSE
SCHEMBL3097397 0.91 MEN1 (0.48) HDAC6MEN1KMT2AALDH1A1AMY1A
SCHEMBL11949066 0.90 HDAC6 (0.47) HDAC6MEN1KMT2AALDH1A1HPSE
SCHEMBL11949059 0.90 HDAC6 (0.51) HDAC6MEN1KMT2AALDH1A1HPSE
SCHEMBL11957176 0.89 HDAC6 (0.52) HDAC6HPSEBRPF1ABL1
SCHEMBL11949062 0.87 BRPF1 (0.58) HDAC6MEN1KMT2AAMY1ABRPF1
SCHEMBL11949046 0.86 ALOX15 (0.48) HDAC6AMY1ABRPF1ABL1

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 HDAC6 47/4885MEN1 977/4885KMT2A 3023/4885

“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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