SCHEMBL11957169

SCHEMBL11957169

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 1/20 0.48
▸ BRPF1 P55201 1/20 0.44
▸ ABL1 P00519 1/20 0.43
▸ HPSE Q9Y251 3/20 0.42
▸ F2 P00734 1/20 0.41
▸ F10 P00742 1/20 0.41
▸ PLG P00747 1/20 0.41
▸ PLAU P00749 1/20 0.41
▸ PLAT P00750 1/20 0.41
▸ PRSS1 P07477 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ APOBEC3G Q9HC16 1/20 0.41
▸ KLKB1 P03952 1/20 0.41
▸ F7 P08709 1/20 0.41
▸ PDE5A O76074 1/20 0.41
▸ NPSR1 Q6W5P4 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) HDAC6BRPF1ABL1MEN1ALDH1A1
SCHEMBL11949054 0.93 BRPF1 (0.48) HDAC6BRPF1ABL1HPSEF2
SCHEMBL3106553 0.93 HDAC6 (0.48) HDAC6BRPF1ABL1F10MEN1
SCHEMBL3097397 0.92 MEN1 (0.48) HDAC6BRPF1ABL1MEN1ALDH1A1
SCHEMBL11949058 0.92 HDAC6 (0.50) HDAC6BRPF1ABL1HPSEMEN1
SCHEMBL11949066 0.91 HDAC6 (0.47) HDAC6BRPF1ABL1HPSEF2
SCHEMBL11949059 0.91 HDAC6 (0.51) HDAC6BRPF1HPSEMEN1ALDH1A1
SCHEMBL11957176 0.89 HDAC6 (0.52) HDAC6BRPF1ABL1HPSEF2
SCHEMBL11949062 0.88 BRPF1 (0.58) HDAC6BRPF1ABL1MEN1HPGD
SCHEMBL11949046 0.87 ALOX15 (0.48) HDAC6BRPF1ABL1F2F10

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 47/4885BRPF1 266/4885ABL1 22/4885

“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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