SCHEMBL11949018

SCHEMBL11949018

CCN(CC)c1cc2[nH]c(-c3ccc(C(C)(C)C)cc3)nc2cc1NC(=O)c1ccc(Br)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 5/20 0.59
▸ SIRT2 Q8IXJ6 1/20 0.51
▸ MMP2 P08253 5/20 0.50
▸ MMP9 P14780 5/20 0.50
▸ MMP8 P22894 5/20 0.50
▸ MMP13 P45452 5/20 0.50
▸ HDAC3 O15379 2/20 0.47
▸ HDAC1 Q13547 2/20 0.47
▸ HDAC8 Q9BY41 2/20 0.47
▸ HPSE Q9Y251 2/20 0.45
▸ HDAC2 Q92769 1/20 0.44
▸ CHEK2 O96017 1/20 0.44
▸ PRSS12 P56730 2/20 0.44
▸ NPBWR1 P48145 1/20 0.44
▸ NR1H4 Q96RI1 1/20 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
SCHEMBL11957168 0.91 HDAC6 (0.59) HDAC6MMP2MMP9MMP8MMP13
SCHEMBL3099694 0.90 HDAC6 (0.56) HDAC6MMP2MMP9MMP8MMP13
SCHEMBL11949010 0.90 SIRT2 (0.55) HDAC6SIRT2MMP2MMP9MMP8
SCHEMBL11949042 0.90 HDAC6 (0.53) HDAC6SIRT2MMP2MMP9MMP8
SCHEMBL11949007 0.89 MMP2 (0.58) HDAC6SIRT2MMP2MMP9MMP8
SCHEMBL11949024 0.88 PRSS12 (0.56) HDAC6SIRT2MMP2MMP9MMP8
SCHEMBL11949038 0.87 HDAC6 (0.55) HDAC6HDAC3HDAC1HDAC8HPSE
SCHEMBL11948988 0.85 MMP2 (0.56) HDAC6SIRT2MMP2MMP9MMP8
SCHEMBL11949039 0.84 NR4A2 (0.55) HDAC6MMP2MMP9MMP8MMP13
SCHEMBL11949020 0.82 PRSS12 (0.61) HDAC6CHEK2PRSS12

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 2 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-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 HDAC6 47/4885SIRT2 1501/4885MMP2 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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