SCHEMBL114971

SCHEMBL114971

Cc1ccccc1-c1c(O)c2nn(C)cc2n(CC(F)F)c1=O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.35
PDE2A O00408 1/20 0.35
CNR2 P34972 5/20 0.35
CNR1 P21554 3/20 0.35
BRD4 O60885 1/20 0.34
CASR P41180 5/20 0.33
ALDH1A2 O94788 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALDH1A3 P47895 1/20 0.33
GRM4 Q14833 2/20 0.33
ELANE P08246 1/20 0.32
NR1I2 O75469 1/20 0.32

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
SCHEMBL113740 0.86 KDM4E (0.42) CNR2CNR1BRD4CASRALDH1A1
SCHEMBL115108 0.84 METAP2 (0.43)
SCHEMBL113668 0.82 CASR (0.38) BRD4CASRALDH1A2ALDH1A1ALDH1A3
SCHEMBL116012 0.82 ADORA3 (0.36) CNR2CNR1BRD4CASR
SCHEMBL115124 0.82 LMNA (0.40) BRD4ALDH1A1GRM4ELANE
SCHEMBL115125 0.79 TP53 (0.39) BRD4CASRGRM4
SCHEMBL115145 0.77 CASR (0.33) PDE10APDE2ABRD4CASRGRM4
SCHEMBL115021 0.77 CASR (0.33) PDE10APDE2ABRD4CASRALDH1A1
SCHEMBL114970 0.76 CASR (0.34) PDE10APDE2ABRD4CASRELANE
SCHEMBL113677 0.76 KCNA3 (0.32) PDE10APDE2ABRD4CASRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058893-A1 HERBICIDALLY ACTIVE KETOSULTAMS AND DIKETOPYRIDINES BAYER CROPSCIENCE AG (DE) 2012-03-08 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-20120058893-A1 HERBICIDALLY ACTIVE KETOSULTAMS AND DIKETOPYRIDINES KHK, KCNA1, KCNA2 PDE10A 2605/4885PDE2A 1769/4885CNR2 2195/4885

“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.