SCHEMBL368911

SCHEMBL368911

O=C(OCC1c2ccccc2-c2ccccc21)N1C[C@H]1Cc1cc(F)c(F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.39
KMT2A Q03164 2/20 0.39
FABP5 Q01469 3/20 0.38
FABP7 O15540 2/20 0.38
MDM4 O15151 1/20 0.35
TP53 P04637 1/20 0.35
MDM2 Q00987 1/20 0.35
ECE1 P42892 2/20 0.35
CHRM3 P20309 1/20 0.35
DPP4 P27487 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 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
SCHEMBL368912 1.00 EPHX2 (0.39) EPHX2KMT2AFABP5FABP7MDM4
SCHEMBL27963868 0.80 DPP4 (0.48) DPP4
SCHEMBL542233 0.75 DPP4 (0.39) ECE1DPP4
SCHEMBL6856244 0.74 KMT2A (0.41) EPHX2KMT2AFABP5FABP7CA1
SCHEMBL6800164 0.74 KMT2A (0.41) EPHX2KMT2AFABP5FABP7CA1
SCHEMBL31524137 0.74 AGTR2 (0.38) EPHX2FABP5FABP7CHRM3
SCHEMBL13669346 0.73 KMT2A (0.41) EPHX2KMT2AFABP5FABP7CA1
SCHEMBL27415347 0.73 KMT2A (0.43) EPHX2KMT2AFABP5FABP7CA1
SCHEMBL26445925 0.73 KMT2A (0.43) EPHX2KMT2AFABP5FABP7CA1
SCHEMBL343020 0.73 DPP4 (0.51) ECE1DPP4

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-20120016125-A1 METHOD FOR PREPARING DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND INTERMEDIATE DONG-A PHARMACEUTICAL. CO., LTD (KR) 2012-01-19 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-20120016125-A1 METHOD FOR PREPARING DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND INTERMEDIATE DPP4, DPP3, DPP7 EPHX2 919/4885KMT2A 3195/4885FABP5 1239/4885

“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.