SCHEMBL13814280

SCHEMBL13814280

N#C[C@H]1CSCN1C(=O)[C@@H](N)Cc1c[nH]c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.46
DPP7 Q9UHL4 3/20 0.46
DPP8 Q6V1X1 2/20 0.46
DPP9 Q86TI2 2/20 0.46
LTA4H P09960 2/20 0.44
PLA2G2A P14555 2/20 0.44
FAP Q12884 2/20 0.43
PTPRA P18433 1/20 0.42
SCN9A Q15858 3/20 0.41
CYP2C19 P33261 1/20 0.41
HTR1A P08908 4/20 0.40
HTR1D P28221 4/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
FAAH O00519 1/20 0.39
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 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
SCHEMBL13803968 1.00 DPP4 (0.46) DPP4DPP7DPP8DPP9LTA4H
SCHEMBL4104230 0.91 DPP4 (0.49) DPP4DPP7DPP8DPP9FAP
SCHEMBL4179156 0.91 DPP4 (0.49) DPP4DPP7DPP8DPP9FAP
SCHEMBL4179160 0.91 DPP4 (0.49) DPP4DPP7DPP8DPP9FAP
SCHEMBL13803966 0.91 DPP4 (0.41) DPP4DPP7DPP8DPP9LTA4H
SCHEMBL4177995 0.91 DPP4 (0.41) DPP4DPP7DPP8DPP9LTA4H
SCHEMBL4172280 0.91 DPP4 (0.41) DPP4DPP7DPP8DPP9LTA4H
SCHEMBL4172278 0.91 DPP4 (0.41) DPP4DPP7DPP8DPP9LTA4H
SCHEMBL4171014 0.88 DPP4 (0.63) DPP4DPP7DPP8DPP9FAP
SCHEMBL4167505 0.88 DPP4 (0.46) DPP4DPP7DPP8DPP9LTA4H

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 DPP4 1/4885DPP7 3/4885DPP8 5/4885

“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.