SCHEMBL474281

SCHEMBL474281

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.70
ALDH1A1 P00352 7/20 0.70
NPC1 O15118 7/20 0.70
SMN1; SMN2 Q16637 6/20 0.70
MEN1 O00255 4/20 0.70
KMT2A Q03164 4/20 0.70
MPL P40238 4/20 0.59
ALOX5 P09917 1/20 0.51
MAPT P10636 7/20 0.50
KDM4E B2RXH2 3/20 0.50
NFKB1 P19838 2/20 0.48
NFKB2 Q00653 2/20 0.48
RELA Q04206 2/20 0.48
AR P10275 1/20 0.48
GFER P55789 1/20 0.48
LTA4H P09960 3/20 0.46
SCN9A Q15858 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL474436 0.89 MPL (0.63) RAB9AALDH1A1NPC1SMN1; SMN2MEN1
SCHEMBL474418 0.84 ALDH1A1 (0.53) RAB9AALDH1A1NPC1SMN1; SMN2MEN1
SCHEMBL16217970 0.84 MEN1 (0.50) RAB9AALDH1A1NPC1SMN1; SMN2MEN1
SCHEMBL17400472 0.83 ALDH1A1 (0.67) RAB9AALDH1A1NPC1SMN1; SMN2MEN1
SCHEMBL474174 0.83 RAB9A (0.67) RAB9AALDH1A1NPC1SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL16210198 0.83 MEN1 (0.49) RAB9AALDH1A1NPC1SMN1; SMN2MEN1
SCHEMBL1802287 0.82 ALDH1A1 (1.00) RAB9AALDH1A1NPC1SMN1; SMN2MEN1
SCHEMBL474184 0.82 MPL (0.51) RAB9AALDH1A1NPC1SMN1; SMN2MEN1
SCHEMBL17407207 0.82 RAB9A (0.53) RAB9AALDH1A1NPC1SMN1; SMN2MEN1
SCHEMBL474277 0.80 RAB9A (0.70) RAB9AALDH1A1NPC1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2708538-B1 Process for preparing fused pyrimidine-dione derivatives, useful as as TRPA1 modulators GLENMARK PHARMACEUTICALS SA (CH) 2015-08-12 EP disclosed
US-20150150876-A1 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2015-06-04 US disclosed
US-20150150876-A1 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2015-06-04 US disclosed
US-20150150876-A1 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2015-06-04 US disclosed
US-9000159-B2 Fused pyrimidine-dione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2015-04-07 US disclosed
US-9000159-B2 Fused pyrimidine-dione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2015-04-07 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-2010109334-A2 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-09-30 WO disclosed
WO-2010109287-A1 FUSED PYRIMIDINE-DIONE 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

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-20150150876-A1 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV6 RAB9A 2928/4885ALDH1A1 475/4885NPC1 1012/4885
US-20090325987-A1 QUINAZOLINEDIONE DERIVATIVES AS TRPA1 MODULATORS TRPA1, TRPV1, TRPC3 RAB9A 2497/4885ALDH1A1 871/4885NPC1 570/4885

“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.