SCHEMBL4947113

SCHEMBL4947113

O=C(NCC(=O)c1sccc1Cl)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
ROCK2 O75116 1/20 0.51
OPRM1 P35372 1/20 0.48
HPGD P15428 1/20 0.47
GAA P10253 3/20 0.46
PKM P14618 1/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPT P10636 3/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ALOX12 P18054 2/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
SLC6A9 P48067 1/20 0.43
SLC6A5 Q9Y345 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
AGTR1 P30556 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 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
SCHEMBL4941117 0.88 ROCK2 (0.53) ROCK2GAAALDH1A1MAPTKMT2A
SCHEMBL14027985 0.88 OPRM1 (0.54) SMN1; SMN2ROCK2OPRM1HPGDGAA
SCHEMBL4941115 0.83 ROCK2 (0.50) ROCK2GAAMAPT
SCHEMBL4949742 0.80 ROCK2 (0.54) SMN1; SMN2ROCK2GAAPKMALDH1A1
SCHEMBL4952090 0.77 ALDH1A1 (0.55) ROCK2OPRM1GAAPKMALDH1A1
SCHEMBL3231208 0.75 ALDH1A1 (0.68) SMN1; SMN2HPGDGAAALDH1A1MAPT
SCHEMBL18901337 0.74 GAA (0.44) SMN1; SMN2ROCK2OPRM1GAAPKM
SCHEMBL17790208 0.74 MAPT (0.50) ROCK2OPRM1GAAPKMALDH1A1
SCHEMBL4951973 0.74 GAA (0.44) ROCK2OPRM1GAAPKMALDH1A1
SCHEMBL5868892 0.74 GAA (0.46) OPRM1GAAPKMALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 (2 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 SMN1; SMN2 3205/4885ROCK2 3276/4885OPRM1 4023/4885
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 SMN1; SMN2 3329/4885ROCK2 3133/4885OPRM1 4236/4885

“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.