SCHEMBL1006898

SCHEMBL1006898

CN(C)c1ccc(C(N)=NO)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
HPGD P15428 3/20 0.55
GFER P55789 2/20 0.55
ALOX15 P16050 4/20 0.53
HSD17B10 Q99714 2/20 0.53
GAA P10253 2/20 0.53
ADRA2A P08913 2/20 0.50
ADRA2B P18089 2/20 0.50
ADRA2C P18825 2/20 0.50
MAPT P10636 2/20 0.50
NOS1 P29475 1/20 0.48
MAPK1 P28482 3/20 0.48
TSHR P16473 2/20 0.48
CYP3A4 P08684 2/20 0.48
HBB P68871 1/20 0.48
RAB9A P51151 4/20 0.46
CA2 P00918 1/20 0.46
KDM1A O60341 1/20 0.46
TP53 P04637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL1006897 1.00 ALDH1A1 (0.55) ALDH1A1HPGDGFERALOX15HSD17B10
SCHEMBL21215222 0.81 KDM1A (0.60) ALDH1A1HPGDGFERALOX15HSD17B10
SCHEMBL5579647 0.77 ALDH1A1 (0.84) ALDH1A1HPGDGFERALOX15HSD17B10
SCHEMBL102214 0.75 CYP2D6 (0.55) ALDH1A1GFERALOX15HSD17B10GAA
SCHEMBL10173256 0.75 CYP2D6 (0.55) ALDH1A1GFERALOX15HSD17B10GAA
SCHEMBL102213 0.75 CYP2D6 (0.55) ALDH1A1GFERALOX15HSD17B10GAA
SCHEMBL12573230 0.74 ALDH1A1 (0.55) ALDH1A1HPGDGFERALOX15HSD17B10
SCHEMBL10092621 0.74 KDM1A (0.54) ALDH1A1HPGDGFERALOX15HSD17B10
SCHEMBL21215275 0.73 RAB9A (0.48) ALDH1A1HPGDGFERALOX15HSD17B10
SCHEMBL4051722 0.73 ALDH1A1 (0.55) ALDH1A1HPGDALOX15HSD17B10GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114775002-A Environment-friendly electroplating solution for wafer packaging and preparation method thereof 江苏矽智半导体科技有限公司 2022-07-22 CN claimed
CN-114775002-A Environment-friendly electroplating solution for wafer packaging and preparation method thereof 江苏矽智半导体科技有限公司 2022-07-22 CN disclosed
CN-114775002-A Environment-friendly electroplating solution for wafer packaging and preparation method thereof 江苏矽智半导体科技有限公司 2022-07-22 CN disclosed
CN-106366078-A Indazole-oxadiazole derivative, medicinal composition containing derivative, and application of derivative in tumor prevention 浙江大学 2017-02-01 CN disclosed
EP-2970262-A1 BROMODOMAIN INHIBITORS AbbVie Inc. (US) 2016-01-20 EP disclosed
US-9050346-B2 Bromodomain inhibitors ABBVIE INC. (US) 2015-06-09 US disclosed
WO-2014164771-A1 BROMODOMAIN INHIBITORS ABBVIE INC. (US) 2014-10-09 WO disclosed
US-20140256705-A1 BROMODOMAIN INHIBITORS ABBVIE INC. 2014-09-11 US disclosed
US-20110118236-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 US disclosed
EP-2269990-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-01-05 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-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
CN-1638776-A Substituted 3-aryl-5-aryl-[1,2,4]-oxadiazoles and analogs CYTOVIA INC (US) 2005-07-13 CN 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 (4 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 ALDH1A1 136/4885HPGD 1435/4885GFER 2381/4885
US-20140256705-A1 BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 ALDH1A1 1453/4885HPGD 1411/4885GFER 4601/4885
US-20110118236-A1 HETEROCYCLIC COMPOUND GRIN1, GRM1, GRIK1 ALDH1A1 614/4885HPGD 2564/4885GFER 1046/4885
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 ALDH1A1 229/4885HPGD 1834/4885GFER 2407/4885

“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.