SCHEMBL2160657

SCHEMBL2160657

O=C(Nc1ccc(F)cc1)c1cnc(N2CC(Oc3cc(F)ccc3Br)C2)cn1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCD O00767 10/20 0.48
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HDAC3 O15379 1/20 0.42
HDAC2 Q92769 1/20 0.42
SCD5 Q86SK9 1/20 0.41
GPR6 P46095 3/20 0.41
SCN9A Q15858 1/20 0.39
PIN1 Q13526 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
SCHEMBL2161363 0.96 SCD (0.47) SCDNPC1ALDH1A1GAARAB9A
SCHEMBL2161494 0.94 SCD (0.49) SCDNPC1ALDH1A1GAARAB9A
SCHEMBL2161316 0.94 SCD (0.48) SCDNPC1ALDH1A1GAARAB9A
SCHEMBL12402057 0.93 SCD (0.44) SCDNPC1ALDH1A1GAARAB9A
SCHEMBL2160513 0.93 GPR6 (0.45) SCDNPC1ALDH1A1GAARAB9A
SCHEMBL12402062 0.92 SCD (0.44) SCDNPC1ALDH1A1GAARAB9A
SCHEMBL2161900 0.92 SCD (0.44) SCDNPC1ALDH1A1GAARAB9A
SCHEMBL12402063 0.91 SCD (0.43) SCDNPC1ALDH1A1GAARAB9A
SCHEMBL2161313 0.91 SCD (0.53) SCDNPC1ALDH1A1GAARAB9A
SCHEMBL2161016 0.91 MEN1 (0.51) SCDNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110183958-A1 AZETIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. 2011-07-28 US 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-20110183958-A1 AZETIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, FADS2 SCD 1/4885NPC1 199/4885ALDH1A1 394/4885

“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.