SCHEMBL13097121

SCHEMBL13097121

CC1NC(=O)C(c2cc(-n3cc(Cl)cn3)ccc2Cl)=C1OC(=O)N(C)C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.35
RIPK2 O43353 2/20 0.32
CYP46A1 Q9Y6A2 1/20 0.32
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSPO P30536 1/20 0.31

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
SCHEMBL13097122 0.81 RIPK2 (0.32) RIPK2CYP3A4
SCHEMBL14432182 0.74 NPC1 (0.31) TSPO
SCHEMBL13106048 0.71 CYP46A1 (0.33) RIPK2CYP46A1
SCHEMBL13097113 0.67 RIPK2 (0.35) RIPK2CYP46A1
SCHEMBL13097068 0.66 MAPT (0.32) RIPK2CYP3A4
SCHEMBL12703009 0.66 ALDH1A1 (0.32)
SCHEMBL13097254 0.65 ALDH1A1 (0.36) RIPK2
SCHEMBL16153994 0.65 NR1H3 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2962371 0.65 MKNK2 (0.32) CYP3A4
SCHEMBL12270015 0.65 MAP2K1 (0.32)

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 3 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
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 GRM4 4203/4885RIPK2 3998/4885CYP46A1 85/4885

“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.