SCHEMBL11949049

SCHEMBL11949049

CCCCC(=O)Nc1cc2nc(-c3ccccc3OC)[nH]c2cc1N(CC)CC

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 1/20 0.45
▸ ADORA3 P0DMS8 2/20 0.44
▸ ADORA1 P30542 2/20 0.44
▸ ABL1 P00519 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ PDE5A O76074 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ PRMT5 O14744 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ WDR77 Q9BQA1 1/20 0.41
▸ BRPF1 P55201 1/20 0.41

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
SCHEMBL11948992 0.97 HDAC6 (0.44) HDAC6ADORA3ADORA1ABL1ALDH1A1
SCHEMBL11949051 0.94 ADORA3 (0.50) HDAC6ADORA3ADORA1ABL1ALDH1A1
SCHEMBL11948989 0.88 ABL1 (0.47) HDAC6ABL1HSD17B10PDE5ABRPF1
SCHEMBL11949046 0.88 ALOX15 (0.48) HDAC6ADORA3ABL1HSD17B10MAPT
SCHEMBL11949052 0.87 KDM4E (0.49) HDAC6ABL1ALDH1A1KDM4EHPGD
SCHEMBL11949053 0.87 KMT2A (0.45) HDAC6ABL1ALDH1A1PDE5APOLB
SCHEMBL11949048 0.85 ABL1 (0.44) HDAC6ABL1KDM4EHSD17B10PDE5A
SCHEMBL11949064 0.85 ABL1 (0.45) HDAC6ABL1ALDH1A1KDM4EHPGD
SCHEMBL11949062 0.85 BRPF1 (0.58) HDAC6ABL1KDM4EGAAHPGD
SCHEMBL11948998 0.85 HDAC6 (0.48) HDAC6ABL1ALDH1A1KDM4EHPGD

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 47/4885ADORA3 2198/4885ADORA1 2653/4885

“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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