SCHEMBL113787

SCHEMBL113787

CCCc1nc2c(s1)c(O)c(-c1ccccc1C)c(=O)n2CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.36
PDE7A Q13946 1/20 0.36
HEXA P06865 1/20 0.36
HEXB P07686 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CASR P41180 2/20 0.35
KDM4E B2RXH2 3/20 0.34
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
MAPT P10636 1/20 0.34
ABL1 P00519 1/20 0.34
LCK P06239 1/20 0.34
YES1 P07947 1/20 0.34
SRC P12931 1/20 0.34
EPHB4 P54760 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL113779 0.91 HEXA (0.40) PDE4BPDE7AHEXAHEXBALDH1A1
SCHEMBL115354 0.89 ALDH1A1 (0.37) HEXAHEXBALDH1A1CASRKDM4E
SCHEMBL115332 0.89 TLR8 (0.35) HEXAHEXBALDH1A1CASRKDM4E
SCHEMBL115166 0.89 CASR (0.35) HEXAHEXBALDH1A1MEN1KMT2A
SCHEMBL115127 0.86 PDE4B (0.38) PDE4BPDE7AHEXAHEXBALDH1A1
SCHEMBL115148 0.82 MEN1 (0.40) PDE4BPDE7AHEXAHEXBALDH1A1
SCHEMBL115264 0.82 PDE4B (0.36) PDE4BPDE7AHEXAHEXBALDH1A1
SCHEMBL115128 0.82 MEN1 (0.38) PDE4BPDE7AHEXAHEXBALDH1A1
SCHEMBL115155 0.81 KDM4E (0.35) PDE4BPDE7AHEXAHEXBALDH1A1
SCHEMBL115153 0.81 PDE4B (0.35) PDE4BPDE7AALDH1A1MEN1KMT2A

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 PDE4B 3085/4885PDE7A 3343/4885HEXA 747/4885

“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.