SCHEMBL115064

SCHEMBL115064

C#CCn1c(=O)c(-c2ccccc2C)c(O)c2cnn(C)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 1/20 0.39
F3 P13726 1/20 0.39
BRD4 O60885 3/20 0.36
LMNA P02545 2/20 0.34
HPGD P15428 2/20 0.34
RAB9A P51151 2/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TACR1 P25103 2/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
KMT2A Q03164 1/20 0.33
CASR P41180 1/20 0.33
TP53 P04637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
BRD9 Q9H8M2 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
SCHEMBL115199 0.86 HPGD (0.44) F7F3BRD4LMNAHPGD
SCHEMBL115047 0.83 METAP2 (0.43) F7F3BRD4LMNAHPGD
SCHEMBL116017 0.82 TP53 (0.39) F7F3BRD4LMNAHPGD
SCHEMBL115087 0.82 F7 (0.39) F7F3BRD4LMNAHPGD
SCHEMBL115231 0.82 F7 (0.44) F7F3BRD4LMNAHPGD
SCHEMBL113670 0.79 CASR (0.38) BRD4LMNAHPGDRAB9ASMN1; SMN2
SCHEMBL115060 0.76 KDM4E (0.37) BRD4LMNAHPGDRAB9ASMN1; SMN2
SCHEMBL115058 0.75 ERCC1 (0.37) BRD4LMNAHPGDRAB9ASMN1; SMN2
SCHEMBL115266 0.75 METAP2 (0.35) BRD4LMNAHPGDRAB9AHTT
SCHEMBL116012 0.74 ADORA3 (0.36) BRD4LMNARAB9ASMN1; SMN2TACR1

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 4126/4885BRD4 3524/4885

“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.