SCHEMBL3740107

SCHEMBL3740107

COc1ccc(-c2ccc([N+](=O)[O-])cc2CC(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
XDH P47989 1/20 0.49
AMY1A P0DUB6 1/20 0.48
MMP2 P08253 2/20 0.48
MMP8 P22894 2/20 0.48
MMP12 P39900 2/20 0.48
MMP13 P45452 2/20 0.48
MMP14 P50281 2/20 0.48
MMP16 P51512 2/20 0.48
MMP1 P03956 1/20 0.48
MMP3 P08254 1/20 0.48
MMP9 P14780 1/20 0.48
CTSV O60911 1/20 0.47
CTSL P07711 1/20 0.47
APP P05067 1/20 0.47
MAPK1 P28482 3/20 0.46
GAA P10253 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.46

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
SCHEMBL14565430 0.86 XDH (0.55) XDHAPPMAPK1GAANPSR1
SCHEMBL3736961 0.85 CYP1A2 (0.55) CYP1A2AMY1AHTTSMN1; SMN2MAPT
SCHEMBL3738351 0.83 HSD17B10 (0.64) CYP1A2MMP2MMP8MMP12MMP13
SCHEMBL3737498 0.83 CYP1A2 (0.55) CYP1A2AMY1AMMP8MMP3MAPK1
SCHEMBL5201858 0.80 PSEN1 (0.54) CYP1A2APPMAPTMEN1LMNA
SCHEMBL3749551 0.79 HSD17B10 (0.54) CYP1A2MMP2MMP8MMP12MMP13
SCHEMBL15703754 0.79 MEN1 (0.55) CYP1A2MMP2MMP8MMP12MMP13
SCHEMBL3731508 0.79 SMN1; SMN2 (0.50) CYP1A2MMP2MMP8MMP12MMP13
SCHEMBL10138011 0.79 APP (0.51) XDHAPPMAPK1GAANPSR1
SCHEMBL4847499 0.78 HSD17B10 (0.60) CYP1A2AMY1AGAAHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1817031-B1 CASPASE-10 INHIBITORS FOR PREVENTION AND TREATMENT OF RETINOPATHY MERCK PATENT GMBH (DE) 2014-05-21 EP claimed
US-7829721-B2 Specific caspase-10 inhibitors MERCK PATENT GMBH (DE) 2010-11-09 US claimed
US-20080255173-A1 Novel Specific Caspase-10 Inhibitors MERCK PATENT GESELLSCHAFT (DE) 2008-10-16 US claimed
EP-1817031-A1 NOVEL SPECIFIC CASPASE-10 INHIBITORS Merck Patent GmbH (DE) 2007-08-15 EP claimed
WO-2006058592-A1 NOVEL SPECIFIC CASPASE-10 INHIBITORS MERCK PATENT GMBH (DE) 2006-06-08 WO claimed
EP-1817031-B1 CASPASE-10 INHIBITORS FOR PREVENTION AND TREATMENT OF RETINOPATHY MERCK PATENT GMBH (DE) 2014-05-21 EP disclosed
US-7829721-B2 Specific caspase-10 inhibitors MERCK PATENT GMBH (DE) 2010-11-09 US disclosed
US-20080255173-A1 Novel Specific Caspase-10 Inhibitors MERCK PATENT GESELLSCHAFT (DE) 2008-10-16 US disclosed
EP-1817031-A1 NOVEL SPECIFIC CASPASE-10 INHIBITORS Merck Patent GmbH (DE) 2007-08-15 EP disclosed
WO-2006058592-A1 NOVEL SPECIFIC CASPASE-10 INHIBITORS MERCK PATENT GMBH (DE) 2006-06-08 WO 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-20080255173-A1 Novel Specific Caspase-10 Inhibitors CASP10, CASP1, CASP5 CYP1A2 3561/4885XDH 968/4885AMY1A 811/4885

“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.