SCHEMBL13097308

SCHEMBL13097308

CCc1cc(-n2cc(Cl)cn2)cc(C)c1-c1c(OC(=O)C(C)C)n2n(c1=O)CCCC2

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TP53 P04637 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
GCG P01275 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
SCHEMBL13097315 0.91 DRD2 (0.34) DRD2DRD4
SCHEMBL13097101 0.85 DRD2 (0.36) DRD2DRD4HPGDTP53
SCHEMBL13097303 0.83 KDM4E (0.34) DRD2DRD4KDM4EALDH1A1HPGD
SCHEMBL13527336 0.80 SMN1; SMN2 (0.32) NPSR1TP53
SCHEMBL12658307 0.75 FGFR1 (0.35) KDM4EALDH1A1HPGDMAPT
SCHEMBL13097086 0.75 ALDH1A1 (0.30) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL13176552 0.74 CYP3A4 (0.31) ALDH1A1
SCHEMBL10309321 0.70 SSTR4 (0.31)
SCHEMBL13527335 0.70 KMT2A (0.34) ALDH1A1NPSR1
SCHEMBL13527338 0.67 CNR1 (0.34) NPSR1GAA

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 2 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-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 DRD2 4492/4885DRD4 3862/4885KDM4E 142/4885

“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.