SCHEMBL1800860

SCHEMBL1800860

Cc1ccc([N+](=O)[O-])c(C(=O)O)c1N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
TSHR P16473 7/20 0.51
CYP3A4 P08684 3/20 0.47
ALDH1A1 P00352 1/20 0.47
RECQL P46063 1/20 0.47
LMNA P02545 2/20 0.44
CASP6 P55212 1/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
HCAR3 P49019 1/20 0.41
MAPK1 P28482 2/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA1 P00915 1/20 0.40

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
SCHEMBL3824611 0.82 TDP1 (0.64) TDP1L3MBTL1TSHRCYP3A4ALDH1A1
SCHEMBL2257980 0.82 TDP1 (0.64) TDP1L3MBTL1TSHRCYP3A4ALDH1A1
SCHEMBL395027 0.81 TDP1 (0.62) TDP1L3MBTL1TSHRCYP3A4ALDH1A1
SCHEMBL21177973 0.81 TDP1 (0.62) TDP1L3MBTL1TSHRCYP3A4ALDH1A1
SCHEMBL30527914 0.81 TDP1 (0.62) TDP1L3MBTL1TSHRCYP3A4ALDH1A1
SCHEMBL20298737 0.79 TDP1 (0.60) TDP1L3MBTL1TSHRCYP3A4ALDH1A1
SCHEMBL11151271 0.79 TDP1 (0.60) TDP1L3MBTL1TSHRCYP3A4ALDH1A1
SCHEMBL27344388 0.79 TDP1 (0.60) TDP1L3MBTL1TSHRCYP3A4ALDH1A1
SCHEMBL3826317 0.79 TDP1 (0.62) TDP1L3MBTL1TSHRLMNACASP6
SCHEMBL1585078 0.79 TDP1 (0.64) TDP1L3MBTL1TSHRCYP3A4ALDH1A1

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 4 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-2010054138-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS, INCORPORATED (US) 2010-05-14 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

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 TDP1 2885/4885L3MBTL1 4285/4885TSHR 1529/4885

“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.