SCHEMBL16044673

SCHEMBL16044673

CC(N)c1ccc(F)cc1C(C)(F)F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 5/20 0.40
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.36
DPP4 P27487 2/20 0.35
IDO1 P14902 2/20 0.35
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
HTR2C P28335 4/20 0.32
HTR2A P28223 3/20 0.32
ROCK2 O75116 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31

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
SCHEMBL6815689 0.87 DPP4 (0.43) PDE2ALMNATP53HTTDPP4
SCHEMBL26619829 0.87 DPP4 (0.43) PDE2ALMNATP53HTTDPP4
SCHEMBL24295153 0.85 PDE2A (0.36) PDE2ALMNATP53HTTDPP4
Hydrochloric Acid SCHEMBL14157379 0.85 IDO1 (0.45) PDE2ALMNATP53HTTDPP4
Hydrochloric Acid SCHEMBL14121597 0.85 IDO1 (0.45) PDE2ALMNATP53HTTDPP4
SCHEMBL23195508 0.85 NOTUM (0.34) PDE2ALMNADPP4IDO1
SCHEMBL30133781 0.81 PDE2A (0.42) PDE2ADPP4IDO1HTR2CHTR2A
SCHEMBL20832010 0.76 IDO1 (0.40) PDE2ALMNATP53HTTDPP4
Hydrochloric Acid SCHEMBL14120522 0.74 IDO1 (0.41) PDE2ALMNATP53HTTDPP4
Hydrochloric Acid SCHEMBL14120415 0.74 IDO1 (0.41) PDE2ALMNATP53HTTDPP4

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-20140275083-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2014-09-18 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-20140275083-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH IDH1, IDH3B, IDH3A PDE2A 3092/4885LMNA 4424/4885TP53 13/4885

“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.