SCHEMBL3102277

SCHEMBL3102277

NCc1c(-c2ccc(Cl)cc2Cl)ncn1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.44
DPP8 Q6V1X1 3/20 0.42
APAF1 O14727 1/20 0.41
NR1I3 Q14994 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
UBE2N P61088 1/20 0.40
NSD2 O96028 1/20 0.39
MAPK1 P28482 1/20 0.38
MDM4 O15151 1/20 0.36
TP53 P04637 1/20 0.36
MDM2 Q00987 1/20 0.36
BRD4 O60885 1/20 0.36
DBH P09172 1/20 0.36

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
SCHEMBL3091375 0.92 DPP4 (0.47) DPP4DPP8SMN1; SMN2HTTNSD2
SCHEMBL3088999 0.88 WDR5 (0.40) DPP4SMN1; SMN2LMNAHTTUBE2N
SCHEMBL3089796 0.88 DPP4 (0.44) DPP4DPP8MDM4MDM2
SCHEMBL3096840 0.88 DPP4 (0.46) DPP4DPP8SMN1; SMN2MDM4TP53
SCHEMBL3091436 0.88 DPP4 (0.46) DPP4DPP8SMN1; SMN2LMNAHTT
SCHEMBL3595741 0.88 DPP4 (0.44) DPP4DPP8NSD2MDM4TP53
SCHEMBL3079559 0.88 DPP4 (0.51) DPP4DPP8MDM4TP53MDM2
SCHEMBL3606001 0.86 DPP4 (0.44) DPP4DPP8
SCHEMBL3595249 0.86 DPP4 (0.47) DPP4DPP8NSD2MDM4TP53
SCHEMBL3595932 0.85 DPP4 (0.49) DPP4DPP8LMNAMAPK1TP53

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
US-7728146-B2 Enzyme inhibitors PROBIODRUG AG (DE) 2010-06-01 US claimed
US-20100234397-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2010-09-16 US disclosed
US-20100234397-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2010-09-16 US disclosed
US-20100234397-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2010-09-16 US disclosed
US-7728146-B2 Enzyme inhibitors PROBIODRUG AG (DE) 2010-06-01 US disclosed
US-7728146-B2 Enzyme inhibitors PROBIODRUG AG (DE) 2010-06-01 US disclosed
US-7728146-B2 Enzyme inhibitors PROBIODRUG AG (DE) 2010-06-01 US disclosed
US-20070244177-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2007-10-18 US disclosed
US-20070244177-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2007-10-18 US disclosed
WO-2007116092-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2007-10-18 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 (2 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-20070244177-A1 ENZYME INHIBITORS ACHE, BACE1, MAOA DPP4 147/4885DPP8 464/4885APAF1 1132/4885
US-20100234397-A1 ENZYME INHIBITORS ACHE, MAOA, BACE1 DPP4 372/4885DPP8 618/4885APAF1 1329/4885

“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.