SCHEMBL116012

SCHEMBL116012

C#CCn1c(=O)c(-c2ccccc2C)c(O)c2nn(C)cc21

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 2/20 0.34
RAB9A P51151 1/20 0.34
BRD4 O60885 1/20 0.34
CNR2 P34972 4/20 0.34
CNR1 P21554 3/20 0.34
TP53 P04637 1/20 0.33
CASR P41180 1/20 0.33
TACR1 P25103 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
ADORA2B P29275 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) SMN1; SMN2BRD4CNR2CNR1CASR
SCHEMBL115108 0.82 METAP2 (0.43)
SCHEMBL114971 0.82 PDE10A (0.35) BRD4CNR2CNR1CASR
SCHEMBL113670 0.82 CASR (0.38) ADORA3SMN1; SMN2LMNARAB9ABRD4
SCHEMBL115124 0.82 LMNA (0.40) ADORA3SMN1; SMN2LMNABRD4TACR1
SCHEMBL116017 0.79 TP53 (0.39) ADORA3SMN1; SMN2LMNARAB9ABRD4
SCHEMBL114950 0.77 SMN1; SMN2 (0.34) ADORA3SMN1; SMN2LMNARAB9ABRD4
SCHEMBL115355 0.77 SMN1; SMN2 (0.34) ADORA3SMN1; SMN2LMNARAB9ABRD4
SCHEMBL114962 0.76 SMN1; SMN2 (0.34) ADORA3SMN1; SMN2LMNARAB9ABRD4
SCHEMBL115140 0.76 SMN1; SMN2 (0.34) ADORA3SMN1; SMN2LMNARAB9ABRD4

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 ADORA3 1900/4885SMN1; SMN2 4450/4885LMNA 3651/4885

“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.