SCHEMBL1800635

SCHEMBL1800635

Nc1nc(-c2c[nH]c3ccccc23)cs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 12/20 1.00
KMT2A Q03164 12/20 1.00
MAPT P10636 8/20 1.00
SMN1; SMN2 Q16637 6/20 1.00
RAB9A P51151 5/20 1.00
KDM4E B2RXH2 5/20 1.00
ALDH1A1 P00352 3/20 1.00
THRB P10828 2/20 1.00
ALOX15 P16050 1/20 1.00
PPARG P37231 1/20 1.00
NCOA2 Q15596 1/20 1.00
HSD17B10 Q99714 1/20 1.00
TDP1 Q9NUW8 2/20 0.65
ATP4A P20648 2/20 0.64
ATP4B P51164 2/20 0.64
AR P10275 1/20 0.60
HTR3A P46098 2/20 0.60
CLK1 P49759 1/20 0.57
GSK3B P49841 1/20 0.57
CDK5 Q00535 1/20 0.57

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
SCHEMBL19059522 0.85 MEN1 (0.78) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL29226134 0.82 KMT2A (0.75) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL17243087 0.80 MEN1 (0.84) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL1807650 0.79 MEN1 (0.66) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL27152396 0.79 MEN1 (0.80) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL29906112 0.79 MEN1 (0.80) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL16496394 0.78 KMT2A (1.00) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL4474062 0.77 PDPK1 (0.63) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL17014784 0.77 MEN1 (0.70) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL4398433 0.77 MAPT (0.62) MEN1KMT2AMAPTSMN1; SMN2RAB9A

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 8 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
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 (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 MEN1 4827/4885KMT2A 3902/4885MAPT 1842/4885

“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.