SCHEMBL3069571

SCHEMBL3069571

O=C(NCCO)c1cnc2ncc(Cc3ccc(Cl)c(C(F)(F)F)c3)c(=O)n2c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 2/20 0.39
SCN3A Q9NY46 1/20 0.39
ROCK2 O75116 2/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
SCD O00767 1/20 0.38
CDK8 P49336 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
GPR52 Q9Y2T5 2/20 0.37
ROCK1 Q13464 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
RAF1 P04049 1/20 0.36
P2RX7 Q99572 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
SCHEMBL3062042 0.77 POLB (0.49) POLBHPGDHTTPTGDR2
SCHEMBL3051701 0.73 ALDH1A1 (0.44) POLBHPGDHTT
SCHEMBL3067789 0.68 IKBKB (0.48) ROCK2
SCHEMBL3069278 0.67 HPGD (0.52) POLBHPGD
SCHEMBL3066312 0.67 LMNA (0.45) HPGDHTTSCDRAF1
SCHEMBL3067615 0.65 PTGDR2 (0.44) POLBHPGDPTGDR2
SCHEMBL162721 0.63 NAMPT (0.74)
SCHEMBL3057128 0.62 FYN (0.45) PTGDR2
SCHEMBL10656615 0.61 IDO1 (0.65)
SCHEMBL215242 0.61 POLB (0.51) POLBHPGDHTTPTGDR2

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-20100267748-A1 HETEROCYCLIC COMPOUNDS USEFUL AS STEAROYL CoA DESATURASE INHIBITORS GILEAD PALO ALTO, INC. (US) 2010-10-21 US claimed
US-20100267748-A1 HETEROCYCLIC COMPOUNDS USEFUL AS STEAROYL CoA DESATURASE INHIBITORS GILEAD PALO ALTO, INC. (US) 2010-10-21 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-20100267748-A1 HETEROCYCLIC COMPOUNDS USEFUL AS STEAROYL CoA DESATURASE INHIBITORS SCD, SCD5, FADS2 NR3C1 4036/4885SCN3A 3094/4885ROCK2 4165/4885

“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.