SCHEMBL474197

SCHEMBL474197

Nc1nc(-c2ccc(C(F)(F)F)c(F)c2)cs1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPL P40238 4/20 0.78
RAB9A P51151 6/20 0.58
ALDH1A1 P00352 5/20 0.58
NPC1 O15118 5/20 0.58
SMN1; SMN2 Q16637 5/20 0.58
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
ALOX5 P09917 1/20 0.56
KIF11 P52732 1/20 0.54
MAPT P10636 5/20 0.54
KDM4E B2RXH2 3/20 0.54
LTA4H P09960 4/20 0.52
NFKB1 P19838 2/20 0.51
NFKB2 Q00653 2/20 0.51
RELA Q04206 2/20 0.51
AR P10275 1/20 0.51
GFER P55789 1/20 0.51
CYP11B2 P19099 4/20 0.51
CYP11B1 P15538 2/20 0.51
TP53 P04637 1/20 0.48

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
SCHEMBL128039 0.88 MPL (1.00) MPLRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL19626589 0.83 CYP11B2 (0.56) MPLRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL474206 0.83 MPL (0.67) MPLRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL126685 0.82 MPL (0.69) MPLRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL1800105 0.81 MPL (0.68) MPLRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL19625427 0.81 CYP11B2 (0.53) MPLRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL29085894 0.80 RAB9A (0.65) MPLRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL474200 0.80 MPL (0.71) MPLRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL18724008 0.80 MPL (0.71) MPLRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL21301005 0.80 MPL (0.71) MPLRAB9AALDH1A1NPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2963036-B1 2-ACYLAMINOTHIAZOLE DERIVATIVE AND SALT THEREOF ASTELLAS PHARMA INC (JP) 2019-08-28 EP disclosed
EP-2963036-B1 2-ACYLAMINOTHIAZOLE DERIVATIVE AND SALT THEREOF ASTELLAS PHARMA INC (JP) 2019-08-28 EP disclosed
US-9562044-B2 2-acylaminothiazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2017-02-07 US disclosed
US-9562044-B2 2-acylaminothiazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2017-02-07 US disclosed
US-9474758-B2 Thienopyrimidinedione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2016-10-25 US disclosed
US-9474758-B2 Thienopyrimidinedione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2016-10-25 US disclosed
US-9474758-B2 Thienopyrimidinedione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2016-10-25 US disclosed
CN-103755720-B Thienopyrimidine derovatives as TRPA1 regulator 格兰马克药品股份有限公司 2016-07-06 CN disclosed
US-20160002218-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2016-01-07 US disclosed
US-20160002218-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2016-01-07 US disclosed
WO-2010109328-A1 ISOTHIAZOLO-PYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-09-30 WO disclosed
WO-2010109328-A1 ISOTHIAZOLO-PYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-09-30 WO disclosed
WO-2010109334-A2 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-09-30 WO disclosed
WO-2010004390-A1 QUINAZOLINE DIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-01-14 WO disclosed
WO-2010004390-A1 QUINAZOLINE DIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-01-14 WO disclosed
US-20090325987-A1 QUINAZOLINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2009-12-31 US disclosed
US-20090325987-A1 QUINAZOLINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2009-12-31 US disclosed
US-20090325987-A1 QUINAZOLINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2009-12-31 US disclosed
WO-2009118596-A2 PHTHALIMIDE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S. A. (CH) 2009-10-01 WO disclosed
WO-2009118596-A2 PHTHALIMIDE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S. A. (CH) 2009-10-01 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-20160002218-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE OR SALT THEREOF CHRM3, CHRM2, CHRM5 MPL 3292/4885RAB9A 2669/4885ALDH1A1 1565/4885
US-20090325987-A1 QUINAZOLINEDIONE DERIVATIVES AS TRPA1 MODULATORS TRPA1, TRPV1, TRPC3 MPL 4421/4885RAB9A 2497/4885ALDH1A1 871/4885

“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.