SCHEMBL12374637

SCHEMBL12374637

COC(=O)c1ccc2c(c1)nc(N1CCCC1)n2-c1ccc(C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 3/20 0.48
SIRT1 Q96EB6 2/20 0.48
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 3/20 0.45
THRB P10828 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RPS6KB1 P23443 1/20 0.44
CRBN Q96SW2 1/20 0.44
TP53 P04637 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
MCL1 Q07820 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
DHFR P00374 1/20 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
SCHEMBL12374636 0.87 SMN1; SMN2 (0.57) SIRT2SIRT1KDM4EALDH1A1HPGD
SCHEMBL2280138 0.86 IDH1 (0.48) KDM4EALDH1A1LMNAHPGDTHRB
SCHEMBL4254107 0.83 KDM4E (0.51) SIRT2SIRT1KDM4EALDH1A1LMNA
SCHEMBL12374638 0.81 KDM4E (0.52) SIRT2SIRT1KDM4EALDH1A1LMNA
SCHEMBL14000400 0.76 POLB (0.57) KDM4EALDH1A1LMNAHPGDTHRB
SCHEMBL2282652 0.75 TRPV4 (0.49) HPGDSMN1; SMN2IDH1
SCHEMBL26931778 0.74 SIRT2 (0.60) SIRT2SIRT1KDM4EALDH1A1LMNA
SCHEMBL29829285 0.74 SIRT2 (0.60) SIRT2SIRT1KDM4EALDH1A1LMNA
SCHEMBL148148 0.74 KDM4E (0.58) KDM4EALDH1A1LMNAHPGDTHRB
SCHEMBL541343 0.73 HSD17B10 (0.76) SIRT2SIRT1KDM4EALDH1A1LMNA

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-8470819-B2 Benzimidazole and aza-benzimidazole carboxamides MERCK SHARP & DOHME CORP. (US) 2013-06-25 US disclosed
US-20110207750-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME LLC 2011-08-25 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-20110207750-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES PAFAH1B3, PAFAH1B2, PAF1 SIRT2 820/4885SIRT1 507/4885KDM4E 885/4885

“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.