SCHEMBL19939626

SCHEMBL19939626

CCCc1ccc2c(c1)N(C(=O)OC(C)(C)C)c1ccccc1S2

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 17/20 0.70
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
HTR1A P08908 1/20 0.44
CHRM5 P08912 1/20 0.44
CHRM1 P11229 1/20 0.44
ADRA2C P18825 1/20 0.44
CHRM3 P20309 1/20 0.44
HRH2 P25021 1/20 0.44
HTR1D P28221 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HRH1 P35367 1/20 0.44
DRD3 P35462 1/20 0.44
HTR2B P41595 1/20 0.44
HTR3A P46098 1/20 0.44
SLC6A3 Q01959 1/20 0.44

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
SCHEMBL17999647 0.92 BCHE (0.65) BCHENPSR1CHRM2CHRM4HTR1A
SCHEMBL17999685 0.91 BCHE (0.64) BCHENPSR1CHRM2CHRM4HTR1A
SCHEMBL31366229 0.91 BCHE (0.64) BCHENPSR1CHRM2CHRM4HTR1A
SCHEMBL13295920 0.84 BCHE (0.64) BCHEMAPTCHRM2CHRM4HTR1A
SCHEMBL24271572 0.82 BCHE (0.79) BCHEMAPT
SCHEMBL19939632 0.80 BCHE (0.75) BCHE
SCHEMBL19939631 0.78 BCHE (0.71) BCHE
SCHEMBL30300622 0.77 BCHE (0.59) BCHENPSR1CHRM2CHRM4HTR1A
SCHEMBL17999687 0.77 BCHE (0.59) BCHENPSR1CHRM2CHRM4HTR1A
SCHEMBL9784948 0.76 BCHE (0.77) BCHEGAAMAPTNPSR1

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-20180065941-A1 PHENOTHIAZINE ANALOGUES AS MITOCHONDRIAL THERAPEUTIC AGENTS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-03-08 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-20180065941-A1 PHENOTHIAZINE ANALOGUES AS MITOCHONDRIAL THERAPEUTIC AGENTS GSR, COQ8A, TXNRD2 BCHE 2853/4885GAA 345/4885MAPT 634/4885

“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.