SCHEMBL115140

SCHEMBL115140

C#CCn1c(=O)c(-c2ccccc2C)c(O)c2ncoc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
TP53 P04637 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
GAA P10253 1/20 0.33
ADORA3 P0DMS8 3/20 0.32
ADORA2B P29275 2/20 0.32
USP2 O75604 1/20 0.32
BRD4 O60885 1/20 0.31
CASR P41180 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL115072 0.86 KDM4E (0.36) SMN1; SMN2TP53KDM4EALDH1A1HPGD
SCHEMBL116023 0.82 METAP2 (0.40) ESR1ESR2
SCHEMBL113677 0.82 KCNA3 (0.32) TP53KDM4EALDH1A1HPGDHSD17B10
SCHEMBL116066 0.81 KCNA3 (0.40) SMN1; SMN2LMNATP53KDM4EALDH1A1
SCHEMBL115060 0.81 KDM4E (0.37) SMN1; SMN2LMNARAB9ATP53KDM4E
SCHEMBL114950 0.79 SMN1; SMN2 (0.34) SMN1; SMN2LMNARAB9ATP53KDM4E
SCHEMBL114962 0.78 SMN1; SMN2 (0.34) SMN1; SMN2LMNARAB9ATP53KDM4E
SCHEMBL116012 0.76 ADORA3 (0.36) SMN1; SMN2LMNARAB9ATP53KDM4E
SCHEMBL115355 0.76 SMN1; SMN2 (0.34) SMN1; SMN2LMNARAB9ATP53KDM4E
SCHEMBL113626 0.73 SMN1; SMN2 (0.34) SMN1; SMN2LMNARAB9ATP53ADORA3

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 SMN1; SMN2 4450/4885LMNA 3651/4885RAB9A 3859/4885

“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.