SCHEMBL475086

SCHEMBL475086

N#Cc1c(S)[nH]c(=O)[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
RECQL P46063 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
IDO1 P14902 9/20 0.40
ATM Q13315 2/20 0.38
DPYD Q12882 1/20 0.38
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.35
TDO2 P48775 1/20 0.35
TP53 P04637 1/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
PIM1 P11309 1/20 0.33

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
SCHEMBL6694829 0.73 KDM4E (0.52) KDM4EIDO1ATMDPYDALDH1A1
SCHEMBL10371514 0.73 TYMP (0.46) KDM4EIDO1ATMDPYDALDH1A1
SCHEMBL26403858 0.70 KDM4E (0.52) KDM4ERECQLTDP1ATMALDH1A1
SCHEMBL9640574 0.68 GAA (0.47) KDM4EIDO1ATMALDH1A1GAA
SCHEMBL8156264 0.68 JAK2 (0.52) KDM4EIDO1ATMDPYDALDH1A1
SCHEMBL6571699 0.68 KDM4E (0.39) KDM4EIDO1ATMDPYDALDH1A1
SCHEMBL12263023 0.67 GDA (0.38) KDM4EALDH1A1GAAHPGD
SCHEMBL23853582 0.66 KDM4E (0.55) KDM4ERECQLALDH1A1HPGDPIM1
Thiocyanic Acid SCHEMBL28588878 0.65 CA1 (0.46) KDM4ERECQLTDP1DPYD
SCHEMBL32688013 0.64 PDE9A (0.43) KDM4ERECQLTDP1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575178-B2 Isothiazolo-pyrimidinedione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2013-11-05 US disclosed
EP-2411397-B1 ISOTHIAZOLO-PYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2013-05-29 EP disclosed
EP-2411397-A1 ISOTHIAZOLO-PYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2012-02-01 EP disclosed
US-20120010223-A1 ISOTHIAZOLO-PYRIMIDINEDIONE DERIVATIVES AS TRPAI MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2012-01-12 US disclosed
WO-2010109328-A1 ISOTHIAZOLO-PYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-09-30 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 (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-20120010223-A1 ISOTHIAZOLO-PYRIMIDINEDIONE DERIVATIVES AS TRPAI MODULATORS TRPA1, TRPV1, TRPC3 KDM4E 4779/4885RECQL 1871/4885TDP1 1375/4885

“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.