SCHEMBL10128768

SCHEMBL10128768

O=C(O)Cn1nnc(-c2cnc(N3CC4CN(c5cc(C(F)(F)F)ccc5C(F)(F)F)CC4C3)nc2)n1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCD O00767 7/20 0.48
SCD5 Q86SK9 1/20 0.45
ALDH1A1 P00352 3/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
RBP4 P02753 1/20 0.39
XPO1 O14980 2/20 0.39
CETP P11597 1/20 0.39

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
SCHEMBL10128733 0.92 SCD (0.57) SCDSCD5RBP4
SCHEMBL10112326 0.90 SCD (0.47) SCDSCD5ALDH1A1POLBMEN1
SCHEMBL10112317 0.90 SCD (0.60) SCDSCD5ALDH1A1POLBMEN1
SCHEMBL10112324 0.90 SCD (0.47) SCDSCD5ALDH1A1POLBMEN1
SCHEMBL1394049 0.88 SCD (0.48) SCDSCD5MEN1KMT2ARBP4
SCHEMBL10112145 0.85 ALDH1A1 (0.48) SCDSCD5ALDH1A1POLBMEN1
SCHEMBL10128222 0.84 SCD (0.66) SCD
SCHEMBL10112303 0.79 SCD (0.59) SCDSCD5MEN1KMT2A
SCHEMBL10112319 0.79 SCD (0.73) SCDSCD5MEN1KMT2A
SCHEMBL10112325 0.79 SCD (0.56) SCDSCD5ALDH1A1MEN1KMT2A

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 2 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
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.