SCHEMBL11949059

SCHEMBL11949059

CCN(CC)c1cc2[nH]c(-c3ccccc3OC)nc2cc1NC(=O)c1ccc(OC)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ TP53 P04637 1/20 0.50
▸ POLB P06746 3/20 0.48
▸ MAPT P10636 1/20 0.48
▸ HPSE Q9Y251 3/20 0.46
▸ TSHR P16473 1/20 0.46
▸ MAPK10 P53779 1/20 0.46
▸ PDE4D Q08499 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ CHEK1 O14757 1/20 0.44
▸ PIM1 P11309 1/20 0.44
▸ MAPK8 P45983 1/20 0.44
▸ CLK4 Q9HAZ1 1/20 0.44
▸ BRPF1 P55201 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44

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
SCHEMBL11957176 0.93 HDAC6 (0.52) HDAC6SMN1; SMN2NPC1RAB9ATP53
SCHEMBL11948998 0.92 HDAC6 (0.48) HDAC6SMN1; SMN2POLBMAPTTSHR
SCHEMBL11957169 0.91 HDAC6 (0.48) HDAC6NPC1RAB9AHPSEALDH1A1
SCHEMBL11949054 0.91 BRPF1 (0.48) HDAC6SMN1; SMN2NPC1RAB9ATP53
SCHEMBL3106553 0.91 HDAC6 (0.48) HDAC6NPC1RAB9ATP53MAPT
SCHEMBL3097397 0.90 MEN1 (0.48) HDAC6MAPTALDH1A1BRPF1MEN1
SCHEMBL11949058 0.90 HDAC6 (0.50) HDAC6HPSEALDH1A1BRPF1MEN1
SCHEMBL11949006 0.90 SMN1; SMN2 (0.51) HDAC6SMN1; SMN2NPC1RAB9ATP53
SCHEMBL11949066 0.89 HDAC6 (0.47) HDAC6SMN1; SMN2POLBMAPTHPSE
SCHEMBL11949062 0.88 BRPF1 (0.58) HDAC6SMN1; SMN2NPC1RAB9ATP53

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 47/4885SMN1; SMN2 2448/4885NPC1 347/4885

“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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