SCHEMBL2177882

SCHEMBL2177882

CCC(Sc1nc2ncc(-c3cn(Cc4cc(Cl)c(Cl)c(Cl)c4)nn3)nc2s1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.35
EGLN1 Q9GZT9 5/20 0.33
KDM4A O75164 1/20 0.33
KDM5C P41229 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33
KDM3A Q9Y4C1 1/20 0.33
SCD O00767 1/20 0.32
PPARG P37231 1/20 0.31
ROCK2 O75116 1/20 0.30
PIM1 P11309 1/20 0.30
GSK3B P49841 1/20 0.30
AURKB Q96GD4 1/20 0.30
NR1I3 Q14994 1/20 0.30

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
SCHEMBL2176716 0.84 SCD (0.37) EGLN1KDM4AKDM5CKDM4CKDM2A
SCHEMBL2178356 0.84 EGLN1 (0.36) EGLN1KDM4AKDM5CKDM4CKDM2A
SCHEMBL2179568 0.80 EGLN1 (0.35) EGLN1KDM4AKDM5CKDM4CKDM2A
SCHEMBL2177226 0.79 MGAM (0.32) EGLN1KDM4AKDM5CKDM4CKDM2A
SCHEMBL12408997 0.79 EGLN1 (0.35) EGLN1KDM4AKDM5CKDM4CKDM2A
SCHEMBL2181543 0.78 ROCK2 (0.37) EGLN1KDM4AKDM5CKDM4CKDM2A
SCHEMBL2177486 0.77 EGLN1 (0.42) EGLN1
SCHEMBL12408988 0.73 ROCK2 (0.36) EGLN1SCDROCK2PIM1GSK3B
SCHEMBL12408990 0.72 EGLN1 (0.41) EGLN1SCD
SCHEMBL2178963 0.71 SCD (0.39) EGLN1KDM4AKDM5CKDM4CKDM2A

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
EP-2350097-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE Merck Frosst Canada Ltd. (CA) 2011-08-03 EP disclosed
US-20110166152-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2011-07-07 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-20110166152-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, CPT1A PPARA 130/4885EGLN1 1112/4885KDM4A 3874/4885

“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.