SCHEMBL11949050

SCHEMBL11949050

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 2/20 0.44
▸ HDAC6 Q9UBN7 2/20 0.43
▸ PDE5A O76074 2/20 0.42
▸ AMY1A P0DUB6 4/20 0.41
▸ BRPF1 P55201 1/20 0.41
▸ PARP1 P09874 1/20 0.41
▸ HDAC3 O15379 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ FGFR1 P11362 1/20 0.39
▸ FGFR2 P21802 1/20 0.39
▸ F2 P00734 1/20 0.39
▸ F10 P00742 1/20 0.39
▸ PLG P00747 1/20 0.39
▸ PLAU P00749 1/20 0.39
▸ PLAT P00750 1/20 0.39
▸ PRSS1 P07477 1/20 0.39
▸ KLKB1 P03952 1/20 0.39

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
SCHEMBL11949064 0.91 ABL1 (0.45) ABL1HDAC6PDE5AAMY1ABRPF1
SCHEMBL11949046 0.88 ALOX15 (0.48) ABL1HDAC6PDE5AAMY1ABRPF1
SCHEMBL11948989 0.88 ABL1 (0.47) ABL1HDAC6PDE5AAMY1ABRPF1
SCHEMBL11949062 0.86 BRPF1 (0.58) ABL1HDAC6AMY1ABRPF1PARP1
SCHEMBL11949051 0.86 ADORA3 (0.50) ABL1HDAC6PDE5AAMY1ABRPF1
SCHEMBL11948998 0.86 HDAC6 (0.48) ABL1HDAC6PDE5ABRPF1KLKB1
SCHEMBL11949067 0.84 KMT2A (0.47) ABL1HDAC6PDE5ABRPF1PARP1
SCHEMBL11949049 0.84 HDAC6 (0.45) ABL1HDAC6PDE5ABRPF1ADORA3
SCHEMBL11949053 0.84 KMT2A (0.45) ABL1HDAC6PDE5A
SCHEMBL11949048 0.84 ABL1 (0.44) ABL1HDAC6PDE5AAMY1ABRPF1

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 ABL1 22/4885HDAC6 47/4885PDE5A 139/4885

“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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