SCHEMBL4947192

SCHEMBL4947192

NC(=NO)c1cnc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.57
NPSR1 Q6W5P4 1/20 0.47
CYP1A2 P05177 3/20 0.46
BCAT1 P54687 1/20 0.46
CFTR P13569 1/20 0.46
CHEK2 O96017 1/20 0.44
TOP2A P11388 2/20 0.43
TOP2B Q02880 2/20 0.43
KDR P35968 1/20 0.42
PDGFRB P09619 2/20 0.41
PDGFRA P16234 2/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA1 Q13131 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL6604149 1.00 MGAM (0.57) MGAMNPSR1CYP1A2BCAT1CFTR
SCHEMBL11069346 0.79 MGAM (0.57) MGAMCYP1A2BCAT1CFTRTOP2A
SCHEMBL23372 0.79 MGAM (0.71) MGAMNPSR1CYP1A2BCAT1CFTR
SCHEMBL29362497 0.79 MGAM (0.71) MGAMNPSR1CYP1A2BCAT1CFTR
SCHEMBL5166779 0.79 MGAM (0.61) MGAMNPSR1CYP1A2BCAT1CFTR
SCHEMBL5674933 0.79 MGAM (0.61) MGAMNPSR1CYP1A2BCAT1CFTR
SCHEMBL12653257 0.78 HTT (0.53) BCAT1ALDH1A1HSD17B10MEN1MAPT
SCHEMBL12618973 0.78 HTT (0.53) BCAT1ALDH1A1HSD17B10MEN1MAPT
Hydrochloric Acid SCHEMBL28841803 0.77 MGAM (0.69) MGAMNPSR1CYP1A2BCAT1CFTR
Fluoride SCHEMBL28234122 0.77 MGAM (0.69) MGAMNPSR1CYP1A2BCAT1CFTR

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 11 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-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-1373264-B1 3-HETEROCYCLYLPROPANOHYDROXAMIC ACID AS PROCOLLAGEN C-PROTEINASE INHIBITORS PFIZER LTD (GB) 2004-12-22 EP disclosed
US-6821972-B2 ANTISCARRING AGENTS; WOUND HEALING AGENTS; ENZYME INHIBITORS PFIZER INC. 2004-11-23 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
EP-1373264-A1 3-HETEROCYCLYLPROPANOHYDROXAMIC ACID AS PROCOLLAGEN C-PROTEINASE INHIBITORS Pfizer Limited (GB) 2004-01-02 EP disclosed
US-20030069291-A1 3-heterocyclylpropanohydroxamic acid PCP inhibitors PFIZER INC. 2003-04-10 US 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
WO-2002079200-A1 3-HETEROCYCLYLPROPANOHYDROXAMIC ACID AS PROCOLLAGEN C-PROTEINASE INHIBITORS PFIZER LIMITED (GB) 2002-10-10 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-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 MGAM 4643/4885NPSR1 4000/4885CYP1A2 231/4885
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 MGAM 4722/4885NPSR1 4405/4885CYP1A2 301/4885
US-20030069291-A1 3-heterocyclylpropanohydroxamic acid PCP inhibitors PAH, CYP2F1, CYP7A1 MGAM 2243/4885NPSR1 1509/4885CYP1A2 28/4885

“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.