SCHEMBL11949038

SCHEMBL11949038

CCN(CC)c1cc2[nH]c(-c3ccc(C(C)(C)C)cc3)nc2cc1NC(=O)c1ccc(OC)c(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 4/20 0.55
▸ HPSE Q9Y251 7/20 0.47
▸ CHEK2 O96017 3/20 0.47
▸ POLB P06746 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ NR1H4 Q96RI1 1/20 0.46
▸ PRSS12 P56730 1/20 0.46
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ HDAC3 O15379 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ RAB9A P51151 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
SCHEMBL11949000 0.90 HPSE (0.53) HDAC6HPSECHEK2POLBSMN1; SMN2
SCHEMBL11949044 0.90 AMY1A (0.49) HDAC6HPSECHEK2POLBSMN1; SMN2
SCHEMBL11949006 0.89 SMN1; SMN2 (0.51) HDAC6HPSECHEK2POLBSMN1; SMN2
SCHEMBL11957168 0.87 HDAC6 (0.59) HDAC6CHEK2SMN1; SMN2MAPTPRSS12
SCHEMBL11949018 0.87 HDAC6 (0.59) HDAC6HPSECHEK2NR1H4PRSS12
SCHEMBL3099694 0.86 HDAC6 (0.56) HDAC6HPSECHEK2POLBMAPT
SCHEMBL11949066 0.85 HDAC6 (0.47) HDAC6HPSEPOLBSMN1; SMN2MAPT
SCHEMBL11949020 0.84 PRSS12 (0.61) HDAC6CHEK2MAPTPRSS12
SCHEMBL11949059 0.83 HDAC6 (0.51) HDAC6HPSEPOLBSMN1; SMN2MAPT
SCHEMBL11948988 0.81 MMP2 (0.56) HDAC6HPSECHEK2PRSS12HDAC3

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 5 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
WO-2008130669-A1 BENZIMIDAZOLES AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2008-10-30 — — WO 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 47/4885HPSE 3619/4885CHEK2 3766/4885

“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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