SCHEMBL4175462

SCHEMBL4175462

NC(=O)C1CSCN1C(=O)C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.48
ICAM1 P05362 1/20 0.48
ITGAL P20701 1/20 0.48
DNMT1 P26358 1/20 0.42
PTPRA P18433 1/20 0.42
NQO2 P16083 1/20 0.42
CYP2C19 P33261 1/20 0.41
MMP2 P08253 1/20 0.38
MMP9 P14780 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
SCHEMBL13814414 0.76 TACR1 (0.45)
SCHEMBL4442998 0.76 CTSL (0.45) ITGB2ICAM1ITGALNQO2
SCHEMBL4113363 0.75 MEN1 (0.37) ITGB2ICAM1ITGALMMP2
SCHEMBL4167934 0.75 CCKBR (0.44)
SCHEMBL8251395 0.75 SCN9A (0.45) ITGB2ICAM1ITGALMMP2
SCHEMBL4104230 0.74 DPP4 (0.49) ITGB2ICAM1ITGALPTPRANQO2
SCHEMBL4179156 0.74 DPP4 (0.49) ITGB2ICAM1ITGALPTPRANQO2
SCHEMBL4179160 0.74 DPP4 (0.49) ITGB2ICAM1ITGALPTPRANQO2
Trifluoroacetic Acid SCHEMBL4165385 0.71 DPP4 (0.47) PTPRANQO2CYP2C19
SCHEMBL4106136 0.69 SCN9A (0.47)

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 1 patent. 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

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 ITGB2 4711/4885ICAM1 2626/4885ITGAL 4098/4885

“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.