SCHEMBL11948996

SCHEMBL11948996

CCN(CC)c1cc2[nH]c(-c3cccc4ccccc34)nc2cc1NC(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 4/20 0.45
▸ HPGD P15428 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ PABPC1 P11940 1/20 0.42
▸ EIF4H Q15056 1/20 0.42
▸ DHPS P49366 2/20 0.42
▸ DGAT1 O75907 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CHEK1 O14757 1/20 0.41
▸ TRPV1 Q8NER1 1/20 0.40
▸ HDAC3 O15379 2/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ LMNA P02545 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
SCHEMBL14046898 0.89 DGAT1 (0.47) HDAC6HPGDALDH1A1NPSR1DGAT1
SCHEMBL11949066 0.87 HDAC6 (0.47) HDAC6HPGDALDH1A1NPSR1MEN1
SCHEMBL3099694 0.86 HDAC6 (0.56) HDAC6HPGDALDH1A1NPSR1MEN1
SCHEMBL11957168 0.81 HDAC6 (0.59) HDAC6DGAT1SMN1; SMN2HDAC3HDAC1
SCHEMBL11949018 0.81 HDAC6 (0.59) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL14046895 0.80 MMP2 (0.48) HDAC6HPGDALDH1A1NPSR1DGAT1
SCHEMBL11948998 0.78 HDAC6 (0.48) HDAC6HPGDALDH1A1NPSR1MEN1
SCHEMBL3098570 0.78 MMP2 (0.57) HDAC6MEN1KMT2AKDM4EPOLB
SCHEMBL11949054 0.78 BRPF1 (0.48) HDAC6HPGDALDH1A1MEN1KMT2A
SCHEMBL11957169 0.78 HDAC6 (0.48) HDAC6HPGDALDH1A1NPSR1MEN1

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 47/4885HPGD 2508/4885ALDH1A1 405/4885

“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.

Send feedback