SCHEMBL2045496

SCHEMBL2045496

COC(=O)Cc1c(C)nc2cc(-c3ccco3)nn2c1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.52
ALDH1A1 P00352 14/20 0.49
HPGD P15428 9/20 0.49
HSD17B10 Q99714 4/20 0.49
KDM4E B2RXH2 9/20 0.46
MAPT P10636 8/20 0.46
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
USP2 O75604 1/20 0.43
MAPK1 P28482 1/20 0.43
PTGS1 P23219 1/20 0.41
POLB P06746 3/20 0.41
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
FUBP1 Q96AE4 1/20 0.40
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40
MEN1 O00255 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL2042378 0.89 ALDH1A1 (0.52) DPP4ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL459359 0.84 MAPT (0.52) DPP4ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL461080 0.80 DPP4 (0.52) DPP4ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL15475631 0.79 NPC1 (0.52) DPP4ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL461816 0.78 KDM4E (0.40) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL2041191 0.77 DPP4 (0.43) DPP4ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL470412 0.77 MAPT (0.40) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL15226785 0.76 MAPT (0.47) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL462711 0.75 MAPT (0.46) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL2051557 0.75 AURKA (0.46) DPP4ALDH1A1HPGDHSD17B10KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2516008-B1 NOVEL ANTIVIRAL COMPOUNDS UNIV LEUVEN KATH (BE) 2014-04-16 EP disclosed
US-20120316161-A1 NOVEL ANTIVIRAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2012-12-13 US disclosed
EP-2516008-A1 NOVEL ANTIVIRAL COMPOUNDS Katholieke Universiteit Leuven (BE) 2012-10-31 EP disclosed
WO-2011076765-A1 NOVEL ANTIVIRAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2011-06-30 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 (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-20120316161-A1 NOVEL ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 DPP4 564/4885ALDH1A1 1275/4885HPGD 1289/4885

“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.