SCHEMBL4128215

SCHEMBL4128215

CC(=O)O[C@H](C)C(=O)Nc1ccc2ncn(Cc3ccc(Cl)c(Cl)c3)c(=O)n12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
UBE2N P61088 1/20 0.41
SCD O00767 5/20 0.40
MAPK1 P28482 1/20 0.37
PPARG P37231 1/20 0.37
PLA2G1B P04054 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
ENPP2 Q13822 3/20 0.35
FGFR1 P11362 1/20 0.35
FGFR4 P22455 1/20 0.35

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
SCHEMBL1082515 0.87 SMN1; SMN2 (0.44) SMN1; SMN2LMNAHTTUBE2NSCD
SCHEMBL1074765 0.84 SCD (0.45) SMN1; SMN2LMNAHTTUBE2NSCD
SCHEMBL1072249 0.82 SCD (0.45) SMN1; SMN2LMNAHTTUBE2NSCD
SCHEMBL1023121 0.82 SMN1; SMN2 (0.39) SMN1; SMN2LMNAHTTUBE2NSCD
SCHEMBL1025492 0.81 SCD (0.57) SMN1; SMN2LMNAHTTUBE2NSCD
SCHEMBL1074629 0.81 SCD (0.45) SMN1; SMN2LMNAHTTUBE2NSCD
SCHEMBL1021354 0.80 SMN1; SMN2 (0.42) SMN1; SMN2LMNAHTTUBE2NSCD
SCHEMBL1072861 0.79 SMN1; SMN2 (0.38) SMN1; SMN2LMNAHTTUBE2NSCD
SCHEMBL1022885 0.79 SCD (0.48) SMN1; SMN2LMNAHTTUBE2NSCD
SCHEMBL1071820 0.77 SMN1; SMN2 (0.43) SMN1; SMN2LMNAHTTUBE2NSCD

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-20090253704-A1 PYRROLOTRIAZINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS CV THERAPEUTICS, INC. 2009-10-08 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-20090253704-A1 PYRROLOTRIAZINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS SCD, SCD5, ECHS1 SMN1; SMN2 4467/4885LMNA 2131/4885HTT 3761/4885

“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.