SCHEMBL10112259

SCHEMBL10112259

Cc1ccc(Cl)cc1N1CC2CN(c3cc(-c4nnn(CC(=O)O)n4)on3)CC2C1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCD O00767 12/20 0.70
SCD5 Q86SK9 2/20 0.70
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
USP2 O75604 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
SCHEMBL1394287 0.82 SCD (1.00) SCDSCD5
SCHEMBL10112207 0.82 SCD (0.55) SCDSCD5LMNASMN1; SMN2USP2
SCHEMBL10112310 0.81 SCD (0.51) SCDSCD5ALDH1A1LMNAHPGD
SCHEMBL10112223 0.80 SCD (0.67) SCDSCD5
SCHEMBL13261311 0.80 SCD (0.54) SCDSCD5ALDH1A1LMNAHPGD
SCHEMBL1394376 0.80 SCD (0.71) SCDSCD5
SCHEMBL10112226 0.79 SCD (0.81) SCDSCD5
SCHEMBL10112299 0.78 SCD (0.77) SCDSCD5
SCHEMBL13261373 0.75 SCD (0.56) SCDSCD5ALDH1A1LMNAHPGD
SCHEMBL13261216 0.75 SCD (0.57) SCDSCD5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120010186-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2012-01-12 US disclosed
US-20120010186-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2012-01-12 US disclosed
WO-2010108268-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-09-30 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-20120010186-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, FASN SCD 1/4885SCD5 2/4885ALDH1A1 544/4885

“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.