SCHEMBL22692446

SCHEMBL22692446

C=CCC/C(=C\C)c1csc(C)n1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.34
TLR7 Q9NYK1 3/20 0.33
MAPK10 P53779 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL14629798 0.67 PKM (0.43)
SCHEMBL5567319 0.67 MAPK10 (0.35) HIF1ATLR7MAPK10KDM4E
SCHEMBL5567321 0.65 GRM5 (0.46)
SCHEMBL14457205 0.63 TLR7 (0.37) HIF1ATLR7KDM4E
SCHEMBL2643079 0.62 RAB9A (0.47) HIF1ATLR7KDM4E
SCHEMBL2643511 0.61
SCHEMBL19036256 0.61 TLR7 (0.36) HIF1ATLR7KDM4E
SCHEMBL2485900 0.61 HIF1A (0.45) HIF1ATLR7KDM4E
SCHEMBL31752320 0.60 ALDH1A1 (0.45) HIF1ATLR7KDM4E
Bromide SCHEMBL10983160 0.60 TLR7 (0.47) HIF1ATLR7KDM4E

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-10844053-B2 Pyrazol-3-ones that activate pro-apoptotic BAX DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-11-24 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-10844053-B2 Pyrazol-3-ones that activate pro-apoptotic BAX BAX, BAD, CASP3 HIF1A 2095/4885TLR7 3739/4885MAPK10 1370/4885

“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.