SCHEMBL7095346

SCHEMBL7095346

CC(=O)Nc1ccc(-c2noc(-c3sccc3Cl)n2)cc1.N#Cc1ccc(-c2noc(-c3sccc3Cl)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 14/20 0.56
LMNA P02545 2/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL4552707 0.92 CASP3 (0.65) CASP3LMNAHPGDHTTTP53
SCHEMBL4551364 0.86 CASP3 (0.72) CASP3MAPTCA12CA1CA2
SCHEMBL4593146 0.78 CASP3 (0.65) CASP3TP53POLBMAPTALDH1A1
SCHEMBL27596922 0.78 CASP3 (0.71) CASP3MAPT
SCHEMBL4552244 0.75 CASP3 (0.70) CASP3TP53MAPTALDH1A1
SCHEMBL4415398 0.74 CASP3 (0.65) CASP3HPGDCA2CA9
SCHEMBL4416525 0.73 CASP3 (1.00) CASP3LMNATP53ALDH1A1CA2
SCHEMBL4551146 0.73 CASP3 (0.78) CASP3LMNATP53MAPTALDH1A1
SCHEMBL4552210 0.72 CASP3 (1.00) CASP3
SCHEMBL4552933 0.72 CASP3 (0.68) CASP3MAPT

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-20030045546-A1 Substituted 3-aryl-5-aryl-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2003-03-06 US claimed

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-20030045546-A1 Substituted 3-aryl-5-aryl-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP3, CASP1, API5 CASP3 1/4885LMNA 1419/4885HPGD 1435/4885

“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.