SCHEMBL2178963

SCHEMBL2178963

O=C(O)CSc1cnc2nc(-c3cn(Cc4cc(Cl)c(Cl)c(Cl)c4)nn3)sc2n1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.39
MAPT P10636 4/20 0.36
EGLN1 Q9GZT9 6/20 0.36
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
KDM4A O75164 1/20 0.32
KDM5C P41229 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32
KDM3A Q9Y4C1 1/20 0.32

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
SCHEMBL12408991 0.93 SCD (0.42) SCDMAPTEGLN1KDM4EGAA
SCHEMBL2178679 0.85 SCD (0.36) SCDMAPTEGLN1
SCHEMBL2176716 0.84 SCD (0.37) SCDMAPTEGLN1KDM4AKDM5C
SCHEMBL2178356 0.83 EGLN1 (0.36) SCDEGLN1GAAKDM4AKDM5C
SCHEMBL2179985 0.82 MAPT (0.39) SCDMAPTEGLN1
SCHEMBL12408997 0.76 EGLN1 (0.35) SCDEGLN1GAAKDM4AKDM5C
SCHEMBL12408989 0.74 MAPT (0.40) SCDMAPTEGLN1
SCHEMBL2177486 0.74 EGLN1 (0.42) EGLN1
SCHEMBL2181543 0.73 ROCK2 (0.37) EGLN1KDM4AKDM5CKDM4CKDM2A
SCHEMBL2177882 0.71 PPARA (0.35) SCDEGLN1KDM4AKDM5CKDM4C

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-20110166152-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2011-07-07 US 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
US-20110166152-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2011-07-07 US disclosed
WO-2010037225-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-04-08 WO disclosed
WO-2010037225-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-04-08 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-20110166152-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, CPT1A SCD 1/4885MAPT 2772/4885EGLN1 1112/4885

“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.