Sugi Predict

Sugi Predict / Compounds / SCHEMBL1803508

SCHEMBL1803508

SCHEMBL1803508

CCn1c(=O)c2c(CC(=O)O)cccc2n(CC)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APEX1 P27695 1/20 0.41
▸ PLA2G2A P14555 2/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ MAPK8 P45983 1/20 0.40
▸ PGR P06401 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ CMA1 P23946 3/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL1802844 0.86 CNR2 (0.50) PGRCMA1CNR2
SCHEMBL13537857 0.78 MEN1 (0.47) PLA2G2APGRKDM4EALDH1A1HPGD
SCHEMBL1800554 0.77 TRPA1 (0.51) —
SCHEMBL1801256 0.73 CNR2 (0.43) CNR2CYP2C19
SCHEMBL5329443 0.70 APEX1 (0.82) APEX1KDM4EALDH1A1HPGDMEN1
SCHEMBL9484457 0.70 KMT2A (0.48) APEX1CMA1CNR2MEN1KMT2A
SCHEMBL30884503 0.70 MEN1 (0.50) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL4621924 0.68 ALDH1A1 (0.59) APEX1MAPK8PGRKDM4EALDH1A1
SCHEMBL3374638 0.68 APEX1 (0.65) APEX1MAPK8PGRKDM4EALDH1A1
SCHEMBL30485670 0.66 PGR (0.68) MAPK8PGRKDM4EALDH1A1HSD17B10

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 7 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
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 APEX1 3213/4885PLA2G2A 948/4885PTGS2 244/4885

“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.