SCHEMBL1967602

SCHEMBL1967602

NC(=NO)c1cn(Cc2cc(Cl)c(Cl)c(Cl)c2)nn1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.46
TGM2 P21980 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
NOTUM Q6P988 1/20 0.35
CA5A P35218 1/20 0.35
CYP19A1 P11511 1/20 0.34
ROCK2 O75116 1/20 0.34
PIM1 P11309 1/20 0.34
GSK3B P49841 1/20 0.34
AURKB Q96GD4 1/20 0.34
TYR P14679 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ESRRG P62508 1/20 0.33

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
SCHEMBL1967601 1.00 SCD (0.46) SCDTGM2ALDH1A1LMNANOTUM
SCHEMBL1974270 0.83 SCD (0.66) SCDTGM2ALDH1A1LMNANOTUM
SCHEMBL1971349 0.78 SCD (0.49) SCDTGM2ALDH1A1LMNA
SCHEMBL2177885 0.77 SCD (0.48) SCDTGM2ALDH1A1LMNAHPGD
SCHEMBL2176792 0.75 SCD (0.49) SCDTGM2ALDH1A1LMNAHPGD
SCHEMBL1967606 0.75 SCD (0.43) SCDTGM2ALDH1A1LMNANOTUM
SCHEMBL1965913 0.72 ALDH1A1 (0.70) SCDALDH1A1LMNANOTUMHPGD
SCHEMBL23921514 0.71 CA5A (0.37) SCDCA5A
SCHEMBL1967731 0.71 NOTUM (0.38) SCDNOTUMCYP19A1ROCK2PIM1
SCHEMBL12408950 0.71 NPC1 (0.39) ALDH1A1LMNANOTUMCYP19A1ESRRG

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-20110152295-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2011-06-23 US disclosed
EP-2334666-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE Merck Canada Inc. (CA) 2011-06-22 EP disclosed
WO-2010025553-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-03-11 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-20110152295-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, SREBF1 SCD 1/4885TGM2 662/4885ALDH1A1 518/4885

“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.