SCHEMBL1807649

SCHEMBL1807649

Nc1nc(-c2cc3ccccc3[nH]2)cs1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 4/20 0.65
ATP4B P51164 4/20 0.65
GSK3B P49841 1/20 0.56
RAB9A P51151 6/20 0.54
NPC1 O15118 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
ALOX15 P16050 2/20 0.54
TP53 P04637 1/20 0.54
FKBP1A P62942 1/20 0.54
EBP Q15125 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
ALDH1A1 P00352 5/20 0.50
MAPT P10636 4/20 0.50
KDM4E B2RXH2 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
NFKB1 P19838 2/20 0.50
NFKB2 Q00653 2/20 0.50
RELA Q04206 2/20 0.50
AURKA O14965 1/20 0.50

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
SCHEMBL5178860 0.83 ATP4A (0.61) ATP4AATP4BGSK3BRAB9ANPC1
SCHEMBL19626594 0.82 ATP4A (0.59) ATP4AATP4BGSK3BRAB9ANPC1
SCHEMBL19625447 0.78 ATP4A (0.56) ATP4AATP4BGSK3BRAB9ANPC1
SCHEMBL5471134 0.78 CDK5 (0.70) RAB9ANPC1SMN1; SMN2ALOX15TP53
Bromide SCHEMBL5475314 0.77 CDK5 (0.69) RAB9ANPC1SMN1; SMN2ALOX15TP53
SCHEMBL2397911 0.76 ATP4A (0.65) ATP4AATP4BGSK3BRAB9ANPC1
SCHEMBL11895098 0.75 GSK3B (0.62) ATP4AATP4BGSK3BRAB9ANPC1
SCHEMBL23641151 0.74 GSK3B (0.62) ATP4AATP4BGSK3BRAB9ANPC1
SCHEMBL31119922 0.73 AURKA (0.54) ATP4AATP4BGSK3BRAB9ANPC1
SCHEMBL27805650 0.73 METAP2 (0.54) ATP4AATP4BGSK3BRAB9ANPC1

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 3 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
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

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 ATP4A 562/4885ATP4B 1368/4885GSK3B 1851/4885

“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.