SCHEMBL13097086

SCHEMBL13097086

Cc1cc(-n2cc(Cl)cn2)cc(C)c1-c1c(O)n2n(c1=O)CCCC2

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.30
HPGD P15428 2/20 0.30
NPSR1 Q6W5P4 2/20 0.30
MAPT P10636 1/20 0.30
STAT6 P42226 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CYP3A4 P08684 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL13097303 0.92 KDM4E (0.34) ALDH1A1HPGDNPSR1CYP3A4KDM4E
SCHEMBL13176552 0.88 CYP3A4 (0.31) ALDH1A1CYP3A4
SCHEMBL13097101 0.80 DRD2 (0.36) HPGDL3MBTL1
SCHEMBL7914555 0.75 HPGD (0.41) ALDH1A1HPGDNPSR1MAPTHTT
SCHEMBL13097308 0.75 DRD2 (0.33) ALDH1A1HPGDNPSR1MAPTKDM4E
SCHEMBL13527194 0.73 KDM4E (0.32) HPGDKDM4E
SCHEMBL13097075 0.71 MAPT (0.37) ALDH1A1HPGDNPSR1MAPTSTAT6
SCHEMBL13097078 0.70 CCR1 (0.31)
SCHEMBL13097109 0.70 ACACB (0.37) MAPTSMN1; SMN2
SCHEMBL12362020 0.70 HTR2A (0.34) ALDH1A1HPGDNPSR1MAPTSTAT6

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-20100267964-A1 N-HETEROCYCLYLPHENYL-SUBSTITUTED CYCLIC KETOENOLS FISCHER REINER 2010-10-21 US disclosed
US-20100267964-A1 N-HETEROCYCLYLPHENYL-SUBSTITUTED CYCLIC KETOENOLS FISCHER REINER 2010-10-21 US disclosed
EP-1638957-B1 N-HETEROCYCLYL PHENYL-SUBSTITUTED CYCLIC KETOENOLS BAYER CROPSCIENCE AG (DE) 2010-09-29 EP disclosed
US-7776791-B2 N-heterocyclyl phenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2010-08-17 US disclosed
US-7776791-B2 N-heterocyclyl phenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2010-08-17 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-20100267964-A1 N-HETEROCYCLYLPHENYL-SUBSTITUTED CYCLIC KETOENOLS CYP17A1, CCNY, CCNE2 ALDH1A1 2486/4885HPGD 116/4885NPSR1 1371/4885

“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.