SCHEMBL1800902

SCHEMBL1800902

Nc1nc(-c2ccc(F)cc2Cl)cs1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
ALOX5 P09917 1/20 0.54
RAB9A P51151 1/20 0.54
KDM4E B2RXH2 2/20 0.53
MEN1 O00255 2/20 0.53
MAPT P10636 2/20 0.53
KMT2A Q03164 2/20 0.53
MPL P40238 6/20 0.51
TYR P14679 1/20 0.50
AMY1A P0DUB6 1/20 0.45
HSD17B10 Q99714 1/20 0.44
EIF4E P06730 1/20 0.43
CYP17A1 P05093 1/20 0.41
LTA4H P09960 1/20 0.41
NR4A1 P22736 1/20 0.41
BLM P54132 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL30123292 0.83 MPL (0.67) ALDH1A1ALOX5RAB9AKDM4EMEN1
SCHEMBL29519297 0.83 AMY1A (0.61) ALDH1A1RAB9AKDM4EMAPTTYR
SCHEMBL129994 0.83 AMY1A (0.61) ALDH1A1RAB9AKDM4EMAPTTYR
SCHEMBL62517 0.83 MPL (0.67) ALDH1A1ALOX5RAB9AKDM4EMEN1
Bromide SCHEMBL8355183 0.81 AMY1A (0.59) ALDH1A1RAB9AKDM4EMAPTTYR
SCHEMBL31006087 0.79 MPL (0.67) ALDH1A1ALOX5RAB9AKDM4EMEN1
SCHEMBL1916792 0.79 MPL (0.67) ALDH1A1ALOX5RAB9AKDM4EMEN1
SCHEMBL474359 0.78 MPL (0.53) ALDH1A1ALOX5RAB9AKDM4EMEN1
SCHEMBL1801223 0.78 MPL (0.60) ALDH1A1ALOX5RAB9AKDM4EMEN1
SCHEMBL1801511 0.77 MPL (0.63) ALDH1A1ALOX5RAB9AKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951814-B2 Quinazolinedione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2011-05-31 US disclosed
US-7951814-B2 Quinazolinedione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2011-05-31 US disclosed
US-7951814-B2 Quinazolinedione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2011-05-31 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
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 (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-20090325987-A1 QUINAZOLINEDIONE DERIVATIVES AS TRPA1 MODULATORS TRPA1, TRPV1, TRPC3 ALDH1A1 871/4885ALOX5 947/4885RAB9A 2497/4885

“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.