SCHEMBL113779

SCHEMBL113779

CCc1nc2c(s1)c(O)c(-c1ccccc1C)c(=O)n2CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HEXA P06865 1/20 0.40
HEXB P07686 1/20 0.40
PDE4B Q07343 1/20 0.37
PDE7A Q13946 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK14 Q16539 1/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
RCE1 Q9Y256 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
LMNA P02545 2/20 0.34
GAA P10253 1/20 0.34
F2 P00734 1/20 0.34

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
SCHEMBL113787 0.91 PDE4B (0.36) HEXAHEXBPDE4BPDE7AMEN1
SCHEMBL116175 0.88 HEXA (0.40) HEXAHEXBMEN1KMT2AMAPK14
SCHEMBL115127 0.88 PDE4B (0.38) HEXAHEXBPDE4BPDE7AMEN1
SCHEMBL115161 0.88 HEXA (0.36) HEXAHEXBMAPK14KDM4EF2
SCHEMBL115325 0.88 HEXA (0.36) HEXAHEXBMAPK14KDM4ESMN1; SMN2
SCHEMBL115148 0.84 MEN1 (0.40) HEXAHEXBPDE4BPDE7AMEN1
SCHEMBL115128 0.84 MEN1 (0.38) HEXAHEXBPDE4BPDE7AMEN1
SCHEMBL115264 0.84 PDE4B (0.36) HEXAHEXBPDE4BPDE7AMEN1
SCHEMBL115155 0.83 KDM4E (0.35) HEXAHEXBPDE4BPDE7AMEN1
SCHEMBL115153 0.82 PDE4B (0.35) PDE4BPDE7AMEN1KMT2AKDM4E

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 HEXA 747/4885HEXB 1304/4885PDE4B 3085/4885

“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.