SCHEMBL22185381

SCHEMBL22185381

CCc1cc2cc(OC(F)(F)F)ccc2[nH]c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.53
GAA P10253 5/20 0.53
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 8/20 0.49
MAPT P10636 6/20 0.49
HSD17B10 Q99714 4/20 0.49
ALOX15 P16050 3/20 0.49
APAF1 O14727 2/20 0.49
CASP1 P29466 2/20 0.49
CASP7 P55210 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
MAPK1 P28482 1/20 0.49
ALOX12 P18054 1/20 0.47
PDE10A Q9Y233 1/20 0.46
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
HPGD P15428 5/20 0.45
HTT P42858 2/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL3711402 0.84 KDM4E (0.55) KDM4EGAAKMT2AALDH1A1MAPT
SCHEMBL3718863 0.83 KDM4E (0.55) KDM4EGAAKMT2AALDH1A1MAPT
SCHEMBL22185223 0.82 KDM4E (0.55) KDM4EGAAKMT2AALDH1A1MAPT
SCHEMBL22185664 0.79 KDM4E (0.49) KDM4EGAAKMT2AALDH1A1MAPT
SCHEMBL22185665 0.78 IDH1 (0.52) KDM4EGAAKMT2AALDH1A1MAPT
SCHEMBL1367463 0.77 KDM4E (0.56) KDM4EGAAKMT2AALDH1A1MAPT
SCHEMBL830358 0.77 KDM4E (0.50) KDM4EGAAKMT2AALDH1A1MAPT
SCHEMBL2975733 0.75 AXL (0.64) KDM4EGAAKMT2AMAPTCRHBP
SCHEMBL22185380 0.75 GRIN2D (0.46) KDM4EGAAALDH1A1MAPTHSD17B10
SCHEMBL462640 0.75 MAPT (0.54) KDM4EGAAKMT2AMAPTHSD17B10

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-20200206233-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2020-07-02 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-20200206233-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS IDH1, IDH2, IDH3A KDM4E 936/4885GAA 106/4885KMT2A 482/4885

“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.