SCHEMBL4552299

SCHEMBL4552299

[3H]c1cc(-c2noc(-c3sccc3Cl)n2)cc([3H])c1N

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 15/20 0.68
CA2 P00918 3/20 0.43
CA9 Q16790 3/20 0.43
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL4422678 0.87 CASP3 (0.78) CASP3CA2CA9
SCHEMBL4552210 0.81 CASP3 (1.00) CASP3NPC1RAB9ASMN1; SMN2
SCHEMBL4552076 0.81 CASP3 (1.00) CASP3CA2CA9NPC1RAB9A
SCHEMBL14028006 0.80 CASP3 (0.60) CASP3CA2CA9NPC1RAB9A
SCHEMBL4551164 0.80 CASP3 (0.76) CASP3NPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL4552118 0.79 CASP3 (0.78) CASP3NPC1RAB9ASMN1; SMN2
SCHEMBL4551146 0.79 CASP3 (0.78) CASP3CA2CA9NPC1RAB9A
SCHEMBL4416525 0.79 CASP3 (1.00) CASP3CA2CA9NPC1RAB9A
SCHEMBL4552413 0.78 CASP3 (0.78) CASP3CA2CA9NPC1RAB9A
SCHEMBL4552243 0.78 CASP3 (0.73) CASP3NPC1RAB9ASMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1618205-A4 METHODS OF TREATING DISEASES RESPONSIVE TO INDUCTION OF APOPTOSIS AND SCREENING ASSAYS CYTOVIA INC (US) 2009-04-08 EP disclosed
US-7435750-B2 Method of using 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. (US) 2008-10-14 US disclosed
EP-1618205-A2 METHODS OF TREATING DISEASES RESPONSIVE TO INDUCTION OF APOPTOSIS AND SCREENING ASSAYS Cytovia, Inc. (US) 2006-01-25 EP disclosed
US-20050004005-A1 Methods of treating diseases responsive to Induction of Apoptosis CYTOVIA, INC. 2005-01-06 US disclosed
WO-2004094648-A2 METHODS OF TREATING DISEASES RESPONSIVE TO INDUCTION OF APOPTOSIS AND SCREENING ASSAYS CYTOVIA, INC. ET AL. (US) 2004-11-04 WO 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-20050004005-A1 Methods of treating diseases responsive to Induction of Apoptosis PDCD6IP, THUMPD1, CCAR2 CASP3 90/4885CA2 4431/4885CA9 4795/4885

“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.