SCHEMBL4171190

SCHEMBL4171190

CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.57
SCN9A Q15858 1/20 0.57
ITGB2 P05107 1/20 0.55
ICAM1 P05362 1/20 0.55
ITGAL P20701 1/20 0.55
CTSL P07711 1/20 0.53
CTSS P25774 1/20 0.53
CTSK P43235 1/20 0.53
NQO2 P16083 1/20 0.51
TACR1 P25103 2/20 0.51
DNMT1 P26358 1/20 0.51
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49
PTPRA P18433 1/20 0.49

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
SCHEMBL20723655 0.92 SCN9A (0.64) ACESCN9AITGB2ICAM1ITGAL
SCHEMBL20723654 0.92 SCN9A (0.64) ACESCN9AITGB2ICAM1ITGAL
SCHEMBL30076272 0.92 SCN9A (0.64) ACESCN9AITGB2ICAM1ITGAL
SCHEMBL4113549 0.91 TACR1 (0.55) ACESCN9ACTSLCTSSCTSK
SCHEMBL4107361 0.88 NQO2 (0.53) CTSLCTSSCTSKNQO2TACR1
SCHEMBL4112957 0.85 ACE (0.62) ACESCN9ACTSLCTSSCTSK
SCHEMBL21292790 0.85 ACE (0.62) ACESCN9ACTSLCTSSCTSK
SCHEMBL8208133 0.85 MAPT (0.63) ACESCN9AITGB2ICAM1ITGAL
SCHEMBL4108869 0.85 ACE (0.62) ACESCN9ACTSLCTSSCTSK
SCHEMBL29804225 0.85 ACE (0.62) ACESCN9ACTSLCTSSCTSK

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-20090149504-A1 Novel 5-Substituted Indole Derivatives As Dipeptidyl Peptidase IV (DPP-IV) Inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2009-06-11 US disclosed
US-20090149504-A1 Novel 5-Substituted Indole Derivatives As Dipeptidyl Peptidase IV (DPP-IV) Inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2009-06-11 US disclosed
US-20090149504-A1 Novel 5-Substituted Indole Derivatives As Dipeptidyl Peptidase IV (DPP-IV) Inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2009-06-11 US disclosed
WO-2006134613-A2 NOVEL 5-SUBSTITUTED INDOLE DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV (DPP-IV) INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2006-12-21 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-20090149504-A1 Novel 5-Substituted Indole Derivatives As Dipeptidyl Peptidase IV (DPP-IV) Inhibitors DPP4, DPP3, DPP7 ACE 18/4885SCN9A 1961/4885ITGB2 4711/4885

“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.