SCHEMBL2795809

SCHEMBL2795809

Cc1cc(C)n(-c2c(Cl)nc3c(C(=O)O)cnn3c2NC(C)C)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.48
ALDH1A1 P00352 8/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
FTO Q9C0B1 1/20 0.41
CYP2C19 P33261 2/20 0.39
LMNA P02545 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CYP1A2 P05177 1/20 0.39
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 1/20 0.38
CYP2C9 P11712 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 2/20 0.38
GBA1 P04062 1/20 0.38
HPGD P15428 5/20 0.37
CYP1A1 P04798 1/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
USP2 O75604 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
SCHEMBL2792537 0.91 KDM4E (0.42) KDM4EALDH1A1L3MBTL1CYP2C19LMNA
SCHEMBL2796620 0.88 ALDH1A1 (0.38) KDM4EALDH1A1L3MBTL1CYP2C19LMNA
SCHEMBL4018674 0.86 NPSR1 (0.37) KDM4EALDH1A1L3MBTL1FTOCYP2C19
SCHEMBL3262058 0.84 CYP2C19 (0.37) KDM4EALDH1A1L3MBTL1CYP2C19LMNA
SCHEMBL2795766 0.75 KDM4E (0.46) KDM4EALDH1A1L3MBTL1CYP2C19LMNA
SCHEMBL2796083 0.71 KDM4E (0.38) KDM4EALDH1A1CYP2C19CYP1A2HSD17B10
SCHEMBL3531293 0.71 DPP4 (0.42) KDM4EALDH1A1POLBMAPTHPGD
SCHEMBL3257816 0.69 KDM4E (0.36) KDM4EALDH1A1L3MBTL1CYP2C19LMNA
SCHEMBL1422926 0.67 KDM4E (1.00) KDM4EALDH1A1L3MBTL1HSD17B10POLB
SCHEMBL2796002 0.66 KDM4E (0.47) KDM4EALDH1A1L3MBTL1CYP2C19LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100167931-A1 HETEROCYCLICALLY SUBSTITUTED HETEROCYCLYLCARBOXYLIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-07-01 US disclosed
US-20100167931-A1 HETEROCYCLICALLY SUBSTITUTED HETEROCYCLYLCARBOXYLIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-07-01 US disclosed
US-20100167931-A1 HETEROCYCLICALLY SUBSTITUTED HETEROCYCLYLCARBOXYLIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-07-01 US disclosed
EP-2014661-A1 Hererocyclically substituted heterocyclic carboxylic acid derivates Bayer CropScience AG (DE) 2009-01-14 EP disclosed
EP-2014661-A1 Hererocyclically substituted heterocyclic carboxylic acid derivates Bayer CropScience AG (DE) 2009-01-14 EP 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-20100167931-A1 HETEROCYCLICALLY SUBSTITUTED HETEROCYCLYLCARBOXYLIC ACID DERIVATIVES HPD, HAAO, HCAR2 KDM4E 1581/4885ALDH1A1 475/4885L3MBTL1 3073/4885

“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.