SCHEMBL115266

SCHEMBL115266

C#CCn1c(=O)c(-c2ccccc2C)c(O)c2cn(CC)nc21

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.35
KDM4E B2RXH2 6/20 0.35
RCE1 Q9Y256 1/20 0.35
CASR P41180 1/20 0.34
ADORA3 P0DMS8 2/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
ALDH1A1 P00352 4/20 0.33
HPGD P15428 3/20 0.33
GAA P10253 3/20 0.33
TP53 P04637 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
BRD4 O60885 1/20 0.33
HSD17B10 Q99714 1/20 0.32
NPC1 O15118 1/20 0.31
HTT P42858 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
TSHR P16473 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
SCHEMBL115139 0.89 KDM4E (0.42) METAP2KDM4ERCE1CASRSMN1; SMN2
SCHEMBL113670 0.87 CASR (0.38) KDM4ECASRADORA3SMN1; SMN2ALDH1A1
SCHEMBL115357 0.83 BRD4 (0.39) KDM4ERCE1CASRSMN1; SMN2ALDH1A1
SCHEMBL115298 0.83 METAP2 (0.35) METAP2KDM4ERCE1CASRSMN1; SMN2
SCHEMBL115176 0.77 KDM4E (0.42) METAP2KDM4ERCE1CASRSMN1; SMN2
SCHEMBL114950 0.76 SMN1; SMN2 (0.34) KDM4ECASRADORA3SMN1; SMN2ALDH1A1
SCHEMBL115355 0.76 SMN1; SMN2 (0.34) KDM4ECASRADORA3SMN1; SMN2ALDH1A1
SCHEMBL115060 0.75 KDM4E (0.37) KDM4ERCE1ADORA3SMN1; SMN2ALDH1A1
SCHEMBL115064 0.75 F7 (0.39) KDM4ECASRSMN1; SMN2ALDH1A1HPGD
SCHEMBL113626 0.75 SMN1; SMN2 (0.34) ADORA3SMN1; SMN2TP53LMNARAB9A

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 METAP2 2747/4885KDM4E 525/4885RCE1 3502/4885

“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.