SCHEMBL4947766

SCHEMBL4947766

N#Cc1ccc(C(N)=NO)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 2/20 0.50
▸ NOS1 P29475 2/20 0.50
▸ PARP15 Q460N3 1/20 0.48
▸ PARP10 Q53GL7 1/20 0.48
▸ PARP2 Q9UGN5 1/20 0.48
▸ CA2 P00918 3/20 0.48
▸ CA1 P00915 2/20 0.48
▸ GAA P10253 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ KDM1A O60341 2/20 0.47
▸ CA12 O43570 1/20 0.46
▸ CA3 P07451 1/20 0.46
▸ CA6 P23280 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ CA14 Q9ULX7 1/20 0.46
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ GSK3B P49841 2/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ LMNA P02545 1/20 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
SCHEMBL1160894 1.00 NOS3 (0.50) NOS3NOS1PARP15PARP10PARP2
Benzamidoxime SCHEMBL3715592 0.85 POLB (0.57) NOS3NOS1GAARAB9AKDM1A
Benzamidoxime SCHEMBL3715593 0.85 POLB (0.57) NOS3NOS1GAARAB9AKDM1A
SCHEMBL1305151 0.84 NOS3 (0.53) NOS3NOS1PARP15PARP10PARP2
SCHEMBL6832123 0.84 CA2 (0.47) NOS3NOS1PARP15PARP10PARP2
SCHEMBL21215222 0.83 KDM1A (0.60) GAARAB9AKDM1AMEN1KMT2A
SCHEMBL24279444 0.80 RAB9A (0.46) CA2CA1GAARAB9AKDM1A
SCHEMBL16572029 0.78 GSK3B (0.49) KDM1AGSK3BPOLB
SCHEMBL1421297 0.78 GSK3B (0.49) KDM1AGSK3BPOLB
SCHEMBL16930794 0.78 PARP15 (0.46) NOS3NOS1PARP15PARP10PARP2

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 6 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-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 NOS3 2097/4885NOS1 2726/4885PARP15 244/4885
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 NOS3 1585/4885NOS1 2997/4885PARP15 205/4885

“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.

Send feedback