SCHEMBL2041191

SCHEMBL2041191

CCCC(C(=O)OC)c1c(C)nc2cc(-c3ccco3)nn2c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.43
ALDH1A1 P00352 15/20 0.42
KDM4E B2RXH2 11/20 0.42
HPGD P15428 10/20 0.42
POLB P06746 5/20 0.42
MAPT P10636 5/20 0.42
HSD17B10 Q99714 4/20 0.42
LMNA P02545 3/20 0.42
USP2 O75604 2/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MCL1 Q07820 1/20 0.40
PKM P14618 1/20 0.38
PTGS1 P23219 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL2040149 0.87 PSIP1 (0.45) DPP4ALDH1A1KDM4EHPGDPOLB
SCHEMBL2044208 0.86 MAPT (0.47) ALDH1A1KDM4EHPGDPOLBMAPT
SCHEMBL2039818 0.79 PSIP1 (0.34) ALDH1A1KDM4EHPGDPOLBMAPT
SCHEMBL2053933 0.78 AURKA (0.41) DPP4KDM4EPOLBMAPTLMNA
SCHEMBL2041516 0.77 PDE4A (0.36)
SCHEMBL2045496 0.77 DPP4 (0.52) DPP4ALDH1A1KDM4EHPGDPOLB
SCHEMBL2043234 0.76 PSIP1 (0.56) DPP4ALDH1A1KDM4EHPGDPOLB
SCHEMBL2047259 0.73 PSIP1 (0.54) ALDH1A1KDM4EHPGDPOLBMAPT
SCHEMBL6123189 0.71 PSIP1 (0.59) ALDH1A1KDM4EHPGDPOLBMAPT
SCHEMBL23998403 0.71 ALDH1A1 (0.59) DPP4ALDH1A1KDM4EHPGDPOLB

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 1275/4885KDM4E 2080/4885

“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.