SCHEMBL13097293

SCHEMBL13097293

Cc1ccc(-n2cc(Cl)cn2)cc1C1=C(O)CC(C)(C)CC1=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
ALDH1A1 P00352 3/20 0.36
OPRM1 P35372 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
HTT P42858 1/20 0.34
RIPK2 O43353 4/20 0.34
CYP11B2 P19099 2/20 0.34
CA4 P22748 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL13097277 0.81 RIPK2 (0.33) RIPK2
SCHEMBL27381419 0.79 ALDH1A1 (0.47) MEN1KMT2ALMNAALDH1A1OPRM1
SCHEMBL13097072 0.78 RIPK2 (0.33) MEN1KMT2ARIPK2
SCHEMBL12129152 0.77 ALDH1A1 (0.32) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL2355638 0.75 ACACB (0.50) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL13097119 0.74 NPY5R (0.32) LMNAALDH1A1SMN1; SMN2HTTRIPK2
SCHEMBL13097065 0.73 ACACB (0.48) KMT2ARIPK2
SCHEMBL2348651 0.70 ALDH1A1 (0.46) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL13097174 0.70 ACACB (0.59) RIPK2
SCHEMBL11486255 0.68 NPC1 (0.43) MEN1KMT2ALMNAPKMALDH1A1

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 MEN1 2806/4885KMT2A 1673/4885LMNA 1471/4885

“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.