SCHEMBL4168533

SCHEMBL4168533

N#Cc1ccc(Oc2ccc3[nH]cc(C[C@H](N)C(=O)N4CSC[C@@H]4C#N)c3c2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.43
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
LTA4H P09960 1/20 0.38
PLA2G2A P14555 1/20 0.38
SCN9A Q15858 2/20 0.36
DPP8 Q6V1X1 5/20 0.36
DPP9 Q86TI2 5/20 0.36
DPP7 Q9UHL4 4/20 0.36
FAP Q12884 3/20 0.36
CYP2D6 P10635 1/20 0.35
SOS1 Q07889 2/20 0.34
AKT1 P31749 1/20 0.34
SLC6A4 P31645 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL13803971 1.00 DPP4 (0.43) DPP4KMT2AMEN1HSP90AA1HSP90AB1
SCHEMBL4168537 1.00 DPP4 (0.43) DPP4KMT2AMEN1HSP90AA1HSP90AB1
SCHEMBL13814499 0.92 DPP4 (0.44) DPP4KMT2AMEN1HSP90AA1HSP90AB1
SCHEMBL13814412 0.89 DPP4 (0.42) DPP4KMT2AMEN1HSP90AA1HSP90AB1
SCHEMBL13803972 0.89 DPP4 (0.42) DPP4KMT2AMEN1HSP90AA1HSP90AB1
SCHEMBL4172280 0.89 DPP4 (0.41) DPP4KMT2AMEN1HSP90AA1HSP90AB1
SCHEMBL4177995 0.89 DPP4 (0.41) DPP4KMT2AMEN1HSP90AA1HSP90AB1
SCHEMBL4172278 0.89 DPP4 (0.41) DPP4KMT2AMEN1HSP90AA1HSP90AB1
SCHEMBL13803966 0.89 DPP4 (0.41) DPP4KMT2AMEN1HSP90AA1HSP90AB1
SCHEMBL8251142 0.89 DPP4 (0.34) DPP4DPP8DPP9SLC6A4HTR1A

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 1/4885KMT2A 2031/4885MEN1 3507/4885

“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.