SCHEMBL344427

SCHEMBL344427

Cn1ccnc1C(O)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
KMT2A Q03164 3/20 0.48
MAPT P10636 3/20 0.46
ALOX15 P16050 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TSHR P16473 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
ALOX12 P18054 1/20 0.46
CYP2D6 P10635 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
LPO P22079 1/20 0.38
MEN1 O00255 1/20 0.38
FGB P02675 1/20 0.38
TNNI3 P19429 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
BRCA1 P38398 1/20 0.38

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
SCHEMBL14663987 0.82 KDM4E (0.51) KDM4EKMT2AMAPTALOX15HSD17B10
SCHEMBL19143605 0.77
SCHEMBL9499461 0.77 KDM4E (0.69) KDM4EKMT2AMAPTALOX15HSD17B10
SCHEMBL23863190 0.75
SCHEMBL1490968 0.75
SCHEMBL27774279 0.74 KDM4E (0.51) KDM4EKMT2AMAPTALOX15HSD17B10
SCHEMBL12281812 0.74 KMT2A (0.56) KDM4EKMT2AMAPTALOX15HSD17B10
Trifluoroacetic Acid SCHEMBL27774295 0.74 KMT2A (0.49) KDM4EKMT2AMAPTALOX15HSD17B10
SCHEMBL13257729 0.74
Water SCHEMBL28967092 0.74 KDM4E (0.55) KDM4EKMT2AMAPTALOX15HSD17B10

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2356108-B1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-10-15 EP disclosed
US-8716289-B2 Carbamate derivatives of alkyl-heterocycles, preparation thereof and therapeutic use thereof SANOFI (FR) 2014-05-06 US disclosed
EP-2374802-B1 KYNURENINE PRODUCTION INHIBITOR KYOWA HAKKO KIRIN CO LTD (JP) 2014-04-23 EP disclosed
US-8673908-B2 Kynurenine production inhibitor KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-03-18 US disclosed
US-20120015950-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2012-01-19 US disclosed
EP-2374802-A1 KYNURENINE PRODUCTION INHIBITOR Kyowa Hakko Kirin Co., Ltd. (JP) 2011-10-12 EP disclosed
US-20110237584-A1 KYNURENINE PRODUCTION INHIBITOR KYOWA KIRIN CO., LTD. (JP) 2011-09-29 US disclosed
US-20110237584-A1 KYNURENINE PRODUCTION INHIBITOR KYOWA KIRIN CO., LTD. (JP) 2011-09-29 US disclosed
EP-2356108-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-08-17 EP disclosed
WO-2010055267-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-05-20 WO 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 (2 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-20120015950-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF INTS9, CDK8, SCN8A KDM4E 4001/4885KMT2A 2849/4885MAPT 4026/4885
US-20110237584-A1 KYNURENINE PRODUCTION INHIBITOR KYNU, KMO, IDO1 KDM4E 755/4885KMT2A 464/4885MAPT 3885/4885

“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.