SCHEMBL116048

SCHEMBL116048

Cc1ccccc1-c1c(O)c2c(cnn2C)n(C)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
TDP2 O95551 1/20 0.40
MAPT P10636 2/20 0.39
LMNA P02545 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 1/20 0.39
BRD4 O60885 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
HTT P42858 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
ATM Q13315 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PDGFRB P09619 1/20 0.37

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
SCHEMBL115102 0.86 HPGD (0.50) F7F3MAPTLMNASMN1; SMN2
SCHEMBL115125 0.82 TP53 (0.39) F7F3MAPTLMNAKMT2A
SCHEMBL115132 0.82 METAP2 (0.45) MAPTLMNATP53HPGDHTT
SCHEMBL116017 0.82 TP53 (0.39) F7F3MAPTLMNASMN1; SMN2
SCHEMBL115231 0.79 F7 (0.44) F7F3TDP2MAPTLMNA
SCHEMBL115124 0.75 LMNA (0.40) TDP2MAPTLMNAKMT2ASMN1; SMN2
SCHEMBL11910054 0.75 F7 (0.44) F7F3TDP2MAPTSMN1; SMN2
SCHEMBL115090 0.72 EGLN1 (0.45) MAPTLMNAKMT2ASMN1; SMN2BRD4
SCHEMBL11965000 0.72 CDK8 (0.44) F7F3TDP2MAPTTP53
SCHEMBL115199 0.71 HPGD (0.44) F7F3MAPTLMNASMN1; SMN2

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 F7 3305/4885F3 4126/4885TDP2 2035/4885

“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.