SCHEMBL115354

SCHEMBL115354

CCCc1nc2c(s1)c(O)c(-c1ccccc1C)c(=O)n2C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
EPHB4 P54760 3/20 0.36
HEXA P06865 1/20 0.36
HEXB P07686 1/20 0.36
ABL1 P00519 1/20 0.36
LCK P06239 1/20 0.36
YES1 P07947 1/20 0.36
SRC P12931 1/20 0.36
CASR P41180 2/20 0.35
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
MAPT P10636 1/20 0.34
NR1I2 O75469 1/20 0.33
TLR8 Q9NR97 1/20 0.33
BRD4 O60885 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
SCHEMBL116175 0.91 HEXA (0.40) ALDH1A1EPHB4HEXAHEXBABL1
SCHEMBL113787 0.89 PDE4B (0.36) ALDH1A1EPHB4HEXAHEXBABL1
SCHEMBL115166 0.84 CASR (0.35) ALDH1A1EPHB4HEXAHEXBABL1
SCHEMBL115332 0.84 TLR8 (0.35) ALDH1A1EPHB4HEXAHEXBABL1
SCHEMBL115235 0.83 BRD4 (0.38) ALDH1A1EPHB4ABL1LCKYES1
SCHEMBL113857 0.82 ALDH1A1 (0.38) ALDH1A1EPHB4HEXAHEXBABL1
SCHEMBL113848 0.81 GRM1 (0.36) ALDH1A1EPHB4SRCKDM4EHPGD
SCHEMBL113779 0.80 HEXA (0.40) ALDH1A1HEXAHEXBSRCCASR
SCHEMBL115301 0.80 BRD4 (0.35) ALDH1A1SRCCASRKDM4EHPGD
SCHEMBL113713 0.80 KDM4E (0.36) ALDH1A1HEXAHEXBSRCCASR

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 ALDH1A1 274/4885EPHB4 4116/4885HEXA 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.