SCHEMBL3715973

SCHEMBL3715973

O=C(O)Cn1nnc(-c2cnc(Cl)nc2)n1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
RECQL P46063 1/20 0.49
HPGD P15428 1/20 0.48
SCD O00767 3/20 0.46
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
LTA4H P09960 1/20 0.42

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
SCHEMBL10111878 0.86 NPC1 (0.55) MEN1KMT2AHPGDALDH1A1GAA
SCHEMBL3712697 0.84 MEN1 (0.56) MEN1KMT2ARECQLHPGDSCD
SCHEMBL10111844 0.80 MAPT (0.61) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL17504554 0.79 MEN1 (0.65) MEN1KMT2AHPGDALDH1A1GAA
SCHEMBL4024534 0.77 HPGD (0.76) MEN1KMT2ARECQLHPGDALDH1A1
SCHEMBL16496668 0.76 MEN1 (0.53) MEN1KMT2ARECQLHPGDALDH1A1
SCHEMBL3892207 0.74 MEN1 (0.46) MEN1KMT2ARECQLHPGDSCD
SCHEMBL18131039 0.74 MEN1 (0.62) MEN1KMT2ARECQLHPGDALDH1A1
SCHEMBL1989322 0.73 SCD (0.57) MEN1KMT2ARECQLSCD
SCHEMBL15653450 0.73 MEN1 (0.65) MEN1KMT2ARECQLHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2398796-A1 HETEROCYCLIC DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE Merck Canada Inc. (CA) 2011-12-28 EP disclosed
US-20110301143-A1 HETEROCYCLIC DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK CANADA INC. (CA) 2011-12-08 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
WO-2010094126-A1 HETEROCYCLIC DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-08-26 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-20110301143-A1 HETEROCYCLIC DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, COASY MEN1 4582/4885KMT2A 3000/4885RECQL 2871/4885

“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.