SCHEMBL4463016

SCHEMBL4463016

CN1C(=O)OC(c2cccnc2)C1(OC(F)(F)F)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
GRM2 Q14416 1/20 0.36
TNKS O95271 3/20 0.35
BACE1 P56817 1/20 0.33
KDM4E B2RXH2 3/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP3A4 P08684 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
THRB P10828 1/20 0.32
TSHR P16473 1/20 0.32
THPO P40225 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CACNA1B Q00975 1/20 0.32

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
SCHEMBL4459771 0.66 GRM2 (0.40) GRM2BACE1
SCHEMBL4463022 0.63 MDM2 (0.39) ALDH1A1TNKSKDM4EHPGDHSD17B10
SCHEMBL4463013 0.61 TNKS (0.41) ALDH1A1TNKSKDM4ECYP3A4CYP1A2
SCHEMBL9105021 0.59 PKM (0.37) ALDH1A1GAATSHRKMT2ANPSR1
SCHEMBL28994076 0.58 ALDH1A1 (0.39) ALDH1A1GAAKDM4EHPGDHSD17B10
SCHEMBL8357258 0.58 CYP2A6 (0.62) ALDH1A1KDM4EHPGDHSD17B10CYP3A4
SCHEMBL15744020 0.57 KDM4E (0.49) ALDH1A1KDM4EHPGDHSD17B10CYP3A4
SCHEMBL15744004 0.57 KDM4E (0.49) ALDH1A1KDM4EHPGDHSD17B10CYP3A4
SCHEMBL22771076 0.57 HCAR2 (0.39) GRM2TNKSBACE1KDM4EHSD17B10
SCHEMBL22771265 0.57 HCAR2 (0.37) TNKSBACE1KDM4EHSD17B10CYP3A4

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-20090137577-A1 HETEROCYCLIC COMPOUNDS PFIZER INC. 2009-05-28 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-20090137577-A1 HETEROCYCLIC COMPOUNDS CYP2D6, ABCG2, CYP2B6 ALDH1A1 150/4885GAA 121/4885GRM2 4432/4885

“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.