SCHEMBL7545221

SCHEMBL7545221

CC(OC(N)=O)c1c(-c2c(C(=O)O)ccc3ccccc23)ccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.54
LDHA P00338 1/20 0.42
SOS1 Q07889 3/20 0.40
NR4A1 P22736 1/20 0.39
NR4A2 P43354 1/20 0.39
NR4A3 Q92570 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 3/20 0.38
KDM4E B2RXH2 2/20 0.38
NCEH1 Q6PIU2 1/20 0.37
DNMT1 P26358 1/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36

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
SCHEMBL7537322 0.89 SOS1 (0.41) WDR5LDHASOS1NR4A1NR4A2
SCHEMBL7539671 0.88 WDR5 (0.49) WDR5LDHASOS1NR4A1NR4A2
SCHEMBL7544143 0.86 MEN1 (0.44) ALDH1A1HPGDKDM4ENCEH1DNMT1
SCHEMBL7538784 0.81 KDM4E (0.38) ALDH1A1HPGDKDM4ENCEH1MEN1
SCHEMBL7538427 0.80 WDR5 (0.50) WDR5LDHASOS1NR4A1NR4A2
SCHEMBL7539055 0.78 MAPT (0.34) SOS1CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL8595668 0.75 WDR5 (0.76) WDR5LDHASOS1NR4A1NR4A2
SCHEMBL29721418 0.72 WDR5 (1.00) WDR5LDHASOS1NR4A1NR4A2
SCHEMBL895573 0.72 WDR5 (1.00) WDR5LDHASOS1NR4A1NR4A2
SCHEMBL7537630 0.72 WDR5 (0.45) WDR5LDHANR4A1NR4A2NR4A3

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-20020094993-A1 Compositions for repelling crawling insects S.C. JOHNSON & SON, INC. 2002-07-18 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-20020094993-A1 Compositions for repelling crawling insects ACHE, DDT, GAP43 WDR5 852/4885LDHA 1723/4885SOS1 1150/4885

“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.