SCHEMBL4424655

SCHEMBL4424655

Clc1ccsc1-c1ncc(-c2ccccc2)o1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.59
NPC1 O15118 5/20 0.59
ATM Q13315 1/20 0.59
TSHR P16473 2/20 0.56
ALOX15 P16050 1/20 0.56
CASP1 P29466 1/20 0.56
CASP3 P42574 10/20 0.55
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 4/20 0.49
HPGD P15428 4/20 0.49
HSD17B10 Q99714 3/20 0.49
MEN1 O00255 1/20 0.49
MITF O75030 1/20 0.49
KMT2A Q03164 1/20 0.49
SMO Q99835 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
SENP8 Q96LD8 2/20 0.43

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
SCHEMBL4416563 0.88 CASP3 (0.55) RAB9ANPC1ATMTSHRALOX15
SCHEMBL4418811 0.88 TSHR (0.56) RAB9ANPC1ATMTSHRALOX15
SCHEMBL4419174 0.85 CASP3 (0.58) RAB9ANPC1ATMTSHRALOX15
SCHEMBL4424627 0.82 CASP3 (0.60) RAB9ANPC1ATMTSHRCASP3
SCHEMBL4418538 0.76 CASP3 (0.51) RAB9ANPC1ATMTSHRALOX15
SCHEMBL2680743 0.74 RAB9A (1.00) RAB9ANPC1ATMTSHRALOX15
SCHEMBL74359 0.74 ALOX15 (0.96) RAB9ANPC1ATMTSHRALOX15
SCHEMBL4422391 0.74 CASP3 (0.58) RAB9ANPC1ATMTSHRALOX15
SCHEMBL4879871 0.73 ALDH1A1 (0.75) RAB9ANPC1ATMTSHRALOX15
SCHEMBL10726923 0.73 ALOX15 (1.00) RAB9ANPC1ATMTSHRALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1638776-A Substituted 3-aryl-5-aryl-[1,2,4]-oxadiazoles and analogs CYTOVIA INC (US) 2005-07-13 CN claimed
EP-1406632-A2 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) 2004-04-14 EP claimed
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
WO-2002100826-A2 SUBSTITUTED 3-ARYL-5-ARYL-[1,2,4]-OXADIAZOLES AND ANALOGS CYTOVIA, INC. (US) 2002-12-19 WO claimed
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
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
US-7041685-B2 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) 2006-05-09 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-20050154012-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. 2005-07-14 US disclosed
CN-1638776-A Substituted 3-aryl-5-aryl-[1,2,4]-oxadiazoles and analogs CYTOVIA INC (US) 2005-07-13 CN 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
EP-1406632-A2 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) 2004-04-14 EP disclosed
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 disclosed
WO-2002100826-A2 SUBSTITUTED 3-ARYL-5-ARYL-[1,2,4]-OXADIAZOLES AND ANALOGS CYTOVIA, INC. (US) 2002-12-19 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 (3 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 RAB9A 3925/4885NPC1 4341/4885ATM 4093/4885
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 RAB9A 3776/4885NPC1 3032/4885ATM 1072/4885
US-20050154012-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, CASP4 RAB9A 3262/4885NPC1 3327/4885ATM 1277/4885

“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.