SCHEMBL7539732

SCHEMBL7539732

CC(OC(N)=O)SCc1c(C=O)ccc2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SLC2A1 P11166 2/20 0.35
ALDH1A1 P00352 4/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 1/20 0.34
NCEH1 Q6PIU2 2/20 0.33
KDM4E B2RXH2 4/20 0.33
GAA P10253 3/20 0.33
ERN1 O75460 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KCNJ11 Q14654 1/20 0.32
LMNA P02545 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32

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
SCHEMBL7539139 0.84 KDM4E (0.47) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL7535995 0.82 WDR5 (0.42) ALDH1A1KMT2AMEN1KDM4EGAA
SCHEMBL7542805 0.81 MAPT (0.38) MAPTCYP1A2CYP2C9CYP2C19SLC2A1
SCHEMBL7535941 0.77 PTGDR2 (0.37) ALDH1A1KMT2AMEN1TDP1HPGD
SCHEMBL628772 0.72 KDM4E (0.45) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL7540706 0.69 EPHX1 (0.33) MAPTCYP1A2CYP2C9CYP2C19ERN1
SCHEMBL12426752 0.68 NCEH1 (0.45) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL27516488 0.68 KDM4E (0.63) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL7537298 0.67 AKR1B1 (0.40) MAPTALDH1A1KMT2AKDM4EHPGD
SCHEMBL7538617 0.67 KDM4E (0.50) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1

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 MAPT 3240/4885CYP1A2 1275/4885CYP2C9 588/4885

“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.