SCHEMBL11949064

SCHEMBL11949064

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.44
▸ TP53 P04637 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ PDE5A O76074 2/20 0.43
▸ BRPF1 P55201 1/20 0.42
▸ PARP1 P09874 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ AMY1A P0DUB6 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ PRMT5 O14744 1/20 0.40
▸ WDR77 Q9BQA1 1/20 0.40
▸ NR2E3 Q9Y5X4 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ APOBEC3G Q9HC16 1/20 0.39
▸ FGFR1 P11362 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
SCHEMBL11949050 0.91 ABL1 (0.44) ABL1HDAC6PDE5ABRPF1PARP1
SCHEMBL11948989 0.89 ABL1 (0.47) ABL1HDAC6PDE5ABRPF1PARP1
SCHEMBL11949046 0.89 ALOX15 (0.48) ABL1HDAC6MAPTPDE5ABRPF1
SCHEMBL14046894 0.87 MAPT (0.45) ABL1TP53MAPTSMN1; SMN2KDM4E
SCHEMBL11949062 0.86 BRPF1 (0.58) ABL1HDAC6TP53MAPTSMN1; SMN2
SCHEMBL11948998 0.86 HDAC6 (0.48) ABL1HDAC6MAPTSMN1; SMN2PDE5A
SCHEMBL11949051 0.86 ADORA3 (0.50) ABL1HDAC6PDE5ABRPF1PARP1
SCHEMBL11949066 0.86 HDAC6 (0.47) ABL1HDAC6MAPTSMN1; SMN2BRPF1
SCHEMBL11949067 0.85 KMT2A (0.47) ABL1HDAC6SMN1; SMN2PDE5ABRPF1
SCHEMBL11949049 0.85 HDAC6 (0.45) ABL1HDAC6MAPTPDE5ABRPF1

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 4 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

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 47/4885TP53 3794/4885

“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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