SCHEMBL2546751

SCHEMBL2546751

COCCCc1ncccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
KDM4E B2RXH2 4/20 0.51
HSD17B10 Q99714 1/20 0.44
CYP2C19 P33261 2/20 0.41
HIF1A Q16665 1/20 0.41
CHRM1 P11229 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM3 P20309 1/20 0.40
HTT P42858 2/20 0.40
NPC1 O15118 1/20 0.40
ALOX12 P18054 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GCK P35557 2/20 0.39
HPGD P15428 1/20 0.39
CCNB2 O95067 1/20 0.38
PRKCB P05771 1/20 0.38

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
SCHEMBL2386030 0.80 L3MBTL1 (0.57) ALDH1A1L3MBTL1KDM4EHSD17B10CYP2C19
SCHEMBL2540326 0.79 SMN1; SMN2 (0.44) ALDH1A1L3MBTL1HSD17B10CYP2C19NPC1
SCHEMBL1081794 0.79 L3MBTL1 (0.55) ALDH1A1L3MBTL1KDM4EHSD17B10CYP2C19
SCHEMBL13177164 0.78 L3MBTL1 (0.64) ALDH1A1L3MBTL1KDM4EHSD17B10CYP2C19
SCHEMBL14964682 0.78 L3MBTL1 (0.64) ALDH1A1L3MBTL1KDM4EHSD17B10CYP2C19
SCHEMBL28202954 0.77 L3MBTL1 (0.53) ALDH1A1L3MBTL1KDM4EHSD17B10HIF1A
SCHEMBL27863560 0.77 L3MBTL1 (0.57) ALDH1A1L3MBTL1KDM4EHSD17B10CYP2C19
SCHEMBL1092016 0.76 ALDH1A1 (0.61) ALDH1A1L3MBTL1KDM4EHSD17B10CYP2C19
SCHEMBL11604545 0.75 ALDH1A1 (0.55) ALDH1A1L3MBTL1KDM4EHSD17B10CYP2C19
SCHEMBL8234824 0.75 SMN1; SMN2 (0.43) ALDH1A1L3MBTL1HSD17B10CYP2C19NPC1

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
EP-2190811-B1 RENIN INHIBITORS MERCK CANADA INC (CA) 2013-08-07 EP disclosed
US-8334308-B2 Renin inhibitors MERCK SHARP & DOHME CORP. (US) 2012-12-18 US disclosed
US-20110263658-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2011-10-27 US disclosed
EP-2190811-A1 RENIN INHIBITORS Merck Frosst Canada Ltd. (CA) 2010-06-02 EP disclosed
WO-2009023964-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2009-02-26 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-20110263658-A1 RENIN INHIBITORS REN, ACE, AGTR1 ALDH1A1 1379/4885L3MBTL1 1854/4885KDM4E 1769/4885

“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.