SCHEMBL2176792

SCHEMBL2176792

O=C(CBr)c1cn(Cc2cc(Cl)c(Cl)c(Cl)c2)nn1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.49
TGM2 P21980 5/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.36
CASP3 P42574 1/20 0.36
KMT2A Q03164 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36

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
SCHEMBL2177885 0.83 SCD (0.48) SCDTGM2ALDH1A1LMNAHPGD
SCHEMBL1974270 0.83 SCD (0.66) SCDTGM2ALDH1A1LMNAHPGD
SCHEMBL1971349 0.81 SCD (0.49) SCDTGM2ALDH1A1LMNA
SCHEMBL1965913 0.77 ALDH1A1 (0.70) SCDALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL1967602 0.75 SCD (0.46) SCDTGM2ALDH1A1LMNAHPGD
SCHEMBL1967601 0.75 SCD (0.46) SCDTGM2ALDH1A1LMNAHPGD
SCHEMBL1967606 0.75 SCD (0.43) SCDTGM2ALDH1A1LMNA
SCHEMBL1967731 0.71 NOTUM (0.38) SCDKMT2A
SCHEMBL12408950 0.71 NPC1 (0.39) ALDH1A1LMNAMEN1KMT2A
SCHEMBL25333961 0.71 EGLN1 (0.51) SCDTGM2ALDH1A1LMNAHPGD

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
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
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 1/4885TGM2 412/4885ALDH1A1 792/4885

“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.