SCHEMBL2833045

SCHEMBL2833045

Cc1c(C(F)(F)F)c2ccccc2[nH]c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.53
DDO Q99489 1/20 0.53
KDM4E B2RXH2 8/20 0.48
ALDH1A1 P00352 5/20 0.48
CYP1A2 P05177 4/20 0.48
TNKS2 Q9H2K2 2/20 0.48
PARP1 P09874 2/20 0.48
LMNA P02545 2/20 0.48
MEN1 O00255 1/20 0.48
TNKS O95271 1/20 0.48
GPR3 P46089 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
KMT2A Q03164 1/20 0.48
PARP15 Q460N3 1/20 0.48
HSD17B10 Q99714 1/20 0.48
RAB9A P51151 1/20 0.47
CYP2C19 P33261 2/20 0.44
MAPT P10636 1/20 0.44
IDE P14735 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
SCHEMBL24611517 0.78 AHR (0.55) KDM4EALDH1A1CYP1A2MEN1GPR3
SCHEMBL6220014 0.77 DAO (0.69) DAODDOKDM4EALDH1A1CYP1A2
SCHEMBL1772301 0.76 KDM4E (0.62) DAODDOKDM4EALDH1A1CYP1A2
SCHEMBL8549899 0.75 KDM4E (0.54) KDM4EALDH1A1CYP1A2LMNAMEN1
SCHEMBL14506244 0.73 KDM4E (0.53) DAODDOKDM4EALDH1A1CYP1A2
SCHEMBL29314622 0.73 DAO (0.58) DAODDOKDM4EALDH1A1CYP1A2
SCHEMBL27807142 0.73 DAO (0.62) DAODDOKDM4EALDH1A1CYP1A2
SCHEMBL2726546 0.73 DAO (0.73) DAODDOKDM4EALDH1A1CYP1A2
SCHEMBL29505902 0.73 DAO (0.73) DAODDOKDM4EALDH1A1CYP1A2
SCHEMBL14339328 0.73 DAO (0.58) DAODDOKDM4EALDH1A1CYP1A2

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-20100099561-A1 HETEROBICYCLIC ALKYLTHIO-BRIDGED ISOXAZOLINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-04-22 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-20100099561-A1 HETEROBICYCLIC ALKYLTHIO-BRIDGED ISOXAZOLINES UQCRB, CCNB3, CCNB1 DAO 1730/4885DDO 1877/4885KDM4E 3484/4885

“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.