SCHEMBL3096472

SCHEMBL3096472

NCc1c(-c2ccc(Cl)cc2Cl)ncn1Cc1ccsc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 11/20 0.41
DPP8 Q6V1X1 4/20 0.40
POLB P06746 1/20 0.36
IDO1 P14902 1/20 0.35
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 1/20 0.33
DPP9 Q86TI2 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90B1 P14625 1/20 0.33
NSD2 O96028 1/20 0.33

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
SCHEMBL3088280 0.89 SIRT5 (0.34) DPP4HSP90AA1HSP90B1NSD2
SCHEMBL3091375 0.87 DPP4 (0.47) DPP4DPP8CYP3A4NSD2
SCHEMBL3079559 0.84 DPP4 (0.51) DPP4DPP8CYP3A4CYP2C19DPP9
SCHEMBL3606001 0.83 DPP4 (0.44) DPP4DPP8CYP3A4DPP9
SCHEMBL3091436 0.82 DPP4 (0.46) DPP4DPP8CYP3A4CYP2C19DPP9
SCHEMBL3595741 0.82 DPP4 (0.44) DPP4DPP8CYP3A4CYP2C19DPP9
SCHEMBL3096840 0.82 DPP4 (0.46) DPP4DPP8CYP3A4DPP9
SCHEMBL3102277 0.82 DPP4 (0.44) DPP4DPP8NSD2
SCHEMBL3088192 0.81 DPP4 (0.46) DPP4DPP8CYP3A4CYP2C19
SCHEMBL3089796 0.81 DPP4 (0.44) DPP4DPP8

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 13 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
EP-2007734-A1 ENZYME INHIBITORS Probiodrug AG (DE) 2008-12-31 EP 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
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
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 464/4885POLB 840/4885
US-20100234397-A1 ENZYME INHIBITORS ACHE, MAOA, BACE1 DPP4 372/4885DPP8 618/4885POLB 571/4885

“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.