SCHEMBL1350488

SCHEMBL1350488

O=C(CBr)c1ccc(Cl)cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.46
RAB9A P51151 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.43
PTPN1 P18031 1/20 0.42
CES2 O00748 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
HIF1A Q16665 1/20 0.42
TMPRSS4 Q9NRS4 6/20 0.42
GRIK1 P39086 1/20 0.42
POLQ O75417 1/20 0.41
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41

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
SCHEMBL16913918 0.87 TMPRSS4 (0.46) GSK3BRAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL12132735 0.85 ALDH1A1 (0.61) GSK3BRAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL14645459 0.84 AR (0.50) GSK3BRAB9AMAPTFLT1FLT4
SCHEMBL29879873 0.84 AR (0.50) GSK3BRAB9AMAPTFLT1FLT4
SCHEMBL26020575 0.83 RAB9A (0.47) RAB9ACYP1A2CYP2D6CYP2C19TP53
SCHEMBL2097720 0.81 CES2 (0.66) GSK3BCYP2C19MAPTKDM4EPTPN1
SCHEMBL7786308 0.81 PTPN1 (0.47) GSK3BPTPN1CES2MRGPRX4P2RX7
SCHEMBL7787360 0.81 GSK3B (0.44) GSK3BCYP1A2CYP2C19PTPN1CES2
SCHEMBL8491232 0.81 RAB9A (0.48) RAB9ACYP1A2CYP2D6CYP2C19TP53
SCHEMBL28462798 0.80 RAB9A (0.50) RAB9ACYP1A2CYP2D6CYP2C19TP53

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110288315-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE COMPOUND DAISO CO., LTD. (JP) 2011-11-24 US claimed
EP-2325178-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE COMPOUND DAISO CO., LTD. (JP) 2011-05-25 EP claimed
US-9771378-B2 Fused morpholinopyrimidines and methods of use thereof DENALI THERAPEUTICS, INC. (US) 2017-09-26 US disclosed
US-9771378-B2 Fused morpholinopyrimidines and methods of use thereof DENALI THERAPEUTICS, INC. (US) 2017-09-26 US disclosed
US-9771378-B2 Fused morpholinopyrimidines and methods of use thereof DENALI THERAPEUTICS, INC. (US) 2017-09-26 US disclosed
US-20170044182-A1 FUSED MORPHOLINOPYRIMIDINES AND METHODS OF USE THEREOF FORUM PHARMACEUTICALS INC. 2017-02-16 US disclosed
US-20170044182-A1 FUSED MORPHOLINOPYRIMIDINES AND METHODS OF USE THEREOF FORUM PHARMACEUTICALS INC. 2017-02-16 US disclosed
US-20170044182-A1 FUSED MORPHOLINOPYRIMIDINES AND METHODS OF USE THEREOF FORUM PHARMACEUTICALS INC. 2017-02-16 US disclosed
WO-2015138689-A1 FUSED MORPHOLINOPYRIMIDINES AND METHODS OF USE THEREOF FORUM PHARMACEUTICALS INC. (US) 2015-09-17 WO disclosed
WO-2015109109-A1 FUSED MORPHOLINOPYRIMIDINES AND METHODS OF USE THEREOF FORUM PHARMACEUTICALS INC. (US) 2015-07-23 WO disclosed
WO-2015109109-A1 FUSED MORPHOLINOPYRIMIDINES AND METHODS OF USE THEREOF FORUM PHARMACEUTICALS INC. (US) 2015-07-23 WO disclosed
US-20110288315-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE COMPOUND DAISO CO., LTD. (JP) 2011-11-24 US disclosed
EP-2325178-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE COMPOUND DAISO CO., LTD. (JP) 2011-05-25 EP disclosed
EP-2325178-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE COMPOUND DAISO CO., LTD. (JP) 2011-05-25 EP disclosed
WO-2010013510-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE COMPOUND ダイソー株式会社 (JP) 2010-02-04 WO disclosed
EP-0735142-B1 Process for producing (R)-styrene oxides SUMIKA FINE CHEMICALS CO LTD (JP) 2001-10-24 EP disclosed
US-5717116-A TREATING A MIXTURE OF PHENYLHALOGENOMETHYLCARBINOLS WITH A LIPASE IN THE PRESENCE OF A CARBOXYLATE FOLLOWED BY CYCLIZATION WITH A BASE SUMIKA FINE CHEMICALS COMPANY, LIMITED (JP) 1998-02-10 US disclosed
EP-0735142-A2 Process for producing (R)-styrene oxides SUMIKA FINE CHEMICAL COMPANY, LTD. (JP) 1996-10-02 EP disclosed
EP-0080071-B1 2-IMIDAZOLYLMETHYL-2-PHENYL-1,3-DIOXOLANES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES BAYER AG (DE) 1987-05-13 EP disclosed
EP-0080071-A2 2-Imidazolylmethyl-2-phenyl-1,3-dioxolanes, process for their preparation and their use as fungicides BAYER AG (DE) 1983-06-01 EP 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-20110288315-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE COMPOUND CYP51A1, KMO, TALDO1 GSK3B 776/4885RAB9A 3393/4885CYP1A2 42/4885
US-20170044182-A1 FUSED MORPHOLINOPYRIMIDINES AND METHODS OF USE THEREOF SMN1; SMN2, FUS, SYNCRIP GSK3B 3967/4885RAB9A 2507/4885CYP1A2 4525/4885

“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.