SCHEMBL11949063

SCHEMBL11949063

CCN(CC)c1cc2[nH]c(-c3ccccc3OC)nc2cc1NC(=O)Cc1ccc(OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ PARP14 Q460N5 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ MAPT P10636 5/20 0.46
▸ KMT2A Q03164 5/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ POLB P06746 2/20 0.46
▸ LMNA P02545 4/20 0.45
▸ PRMT5 O14744 2/20 0.45
▸ WDR77 Q9BQA1 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ ADORA3 P0DMS8 1/20 0.43
▸ ADORA2A P29274 1/20 0.43
▸ CSNK1D P48730 2/20 0.42

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
SCHEMBL11949053 0.94 KMT2A (0.45) KDRL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL3106553 0.88 HDAC6 (0.48) PARP14MAPTKMT2AMEN1NPC1
SCHEMBL11949051 0.86 ADORA3 (0.50) PARP14ALDH1A1KDM4ELMNAPRMT5
SCHEMBL11948989 0.85 ABL1 (0.47) ABL1HSD17B10HDAC6
SCHEMBL11949046 0.85 ALOX15 (0.48) L3MBTL1MAPTADORA3ABL1HSD17B10
SCHEMBL11949049 0.85 HDAC6 (0.45) L3MBTL1ALDH1A1MAPTKDM4EPOLB
SCHEMBL11948992 0.84 HDAC6 (0.44) L3MBTL1ALDH1A1KDM4ELMNAPRMT5
SCHEMBL11949062 0.83 BRPF1 (0.58) MAPTKMT2AKDM4EMEN1POLB
SCHEMBL11948998 0.83 HDAC6 (0.48) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL11949064 0.83 ABL1 (0.45) ALDH1A1MAPTKMT2AKDM4EMEN1

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 KDR 4884/4885L3MBTL1 2944/4885PARP14 3022/4885

“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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