SCHEMBL4586295

SCHEMBL4586295

Cc1cc(Cl)cnc1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PIK3CD O00329 1/20 0.33
S1PR3 Q99500 7/20 0.32
S1PR1 P21453 6/20 0.32
S1PR2 O95136 2/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KCNH2 Q12809 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
GRM5 P41594 1/20 0.31
USP8 P40818 1/20 0.31
USP7 Q93009 1/20 0.31

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
SCHEMBL186605 0.78 KDM4E (0.47) KDM4EALDH1A1POLBMEN1KMT2A
SCHEMBL4918585 0.78 NOS3 (0.46) KDM4EALDH1A1POLBPIK3CDGRM5
SCHEMBL12099239 0.77 ALDH1A1 (0.41) KDM4EALDH1A1POLBMEN1KMT2A
SCHEMBL12941448 0.77 HTT (0.42) KDM4EALDH1A1L3MBTL1PIK3CDHTT
SCHEMBL19251508 0.77 KDM4E (0.33) KDM4EALDH1A1POLBPIK3CD
SCHEMBL1973193 0.75 ALDH1A1 (0.40) KDM4EALDH1A1POLBMAPTMAPK1
SCHEMBL2298550 0.75 EGLN2 (0.40) KDM4EALDH1A1POLBS1PR3S1PR1
SCHEMBL11155546 0.75 KDM4E (0.40) KDM4EALDH1A1POLBMAPTMAPK1
SCHEMBL12838156 0.75 KDM4E (0.40) KDM4EALDH1A1POLBMAPTMAPK1
SCHEMBL2076123 0.75 CHEK1 (0.37) KDM4EALDH1A1POLBKMT2AL3MBTL1

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 66 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070088028-A1 17-Acetamido-4-azasteroid derivatives as androgen receptor modulators MERCK & CO., INC. 2007-04-19 US claimed
US-20060287349-A1 17-HETEROCYCLIC-4-AZASTEROID DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2006-12-21 US claimed
CN-119528804-A 2- { [2- (Phenoxymethyl) pyridin-5-yl ] oxy } ethanamine derivatives and related compounds as pest control agents, for example, for protecting plants 发现号收购集团 2025-02-28 CN disclosed
CN-119285538-A 2- { [2- (Phenoxymethyl) pyridin-5-yl ] oxy } ethanamine derivatives and related compounds as pest control agents, for example, for protecting plants 发现号收购集团 2025-01-10 CN disclosed
US-20240109860-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2024-04-04 US disclosed
US-20240059691-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2024-02-22 US disclosed
US-11827616-B2 Heterocyclic compounds as pesticides DISCOVERY PURCHASER CORPORATION (US) 2023-11-28 US disclosed
US-11827616-B2 Heterocyclic compounds as pesticides DISCOVERY PURCHASER CORPORATION (US) 2023-11-28 US disclosed
US-11827616-B2 Heterocyclic compounds as pesticides DISCOVERY PURCHASER CORPORATION (US) 2023-11-28 US disclosed
EP-4255900-A2 ENZYME INHIBITORS Kalvista Pharmaceuticals Limited (GB) 2023-10-11 EP disclosed
US-20230286918-A1 MANUFACTURING PROCESS FOR 3,5-DICHLOROPICOLINONITRILE FOR SYNTHESIS OF VADADUSTAT AKEBIA THERAPEUTICS, INC. (US) 2023-09-14 US disclosed
US-20080125399-A1 17 Beta-Acetamide-4-Azasteroids As Androgen Receptor Modulators MERCK SHARP & DOHME CORP. 2008-05-29 US disclosed
US-7317029-B2 3,5-disubstituted-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2008-01-08 US disclosed
US-20070112003-A1 3,5-disubstituted-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use of thereof CYTOVIA, INC. (US) 2007-05-17 US disclosed
US-20070088028-A1 17-Acetamido-4-azasteroid derivatives as androgen receptor modulators MERCK & CO., INC. 2007-04-19 US disclosed
US-20060287349-A1 17-HETEROCYCLIC-4-AZASTEROID DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2006-12-21 US disclosed
US-7144876-B2 3,5-Disubstituted-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2006-12-05 US disclosed
EP-1581213-A1 3,5-DISUBSTITUTED- 1,2,4 -OXADIAZOLES AND ANALOGS AS AC TIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2005-10-05 EP disclosed
WO-2004058253-A1 3,5-DISUBSTITUTED-[1,2,4]-OXADIAZOLES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2004-07-15 WO disclosed
US-20040127521-A1 3,5-Disubstituted-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2004-07-01 US 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 (9 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-20040127521-A1 3,5-Disubstituted-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP1, CASP3, CASP2 KDM4E 4071/4885ALDH1A1 155/4885POLB 2457/4885
US-20230286918-A1 MANUFACTURING PROCESS FOR 3,5-DICHLOROPICOLINONITRILE FOR SYNTHESIS OF VADADUSTAT CYP3A4, CYP2D6, CYP2F1 KDM4E 947/4885ALDH1A1 124/4885POLB 2919/4885
US-20070112003-A1 3,5-disubstituted-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use of thereof CASP1, CASP3, CASP2 KDM4E 3518/4885ALDH1A1 205/4885POLB 3297/4885
US-20070088028-A1 17-Acetamido-4-azasteroid derivatives as androgen receptor modulators AR, SHBG, NR5A1 KDM4E 872/4885ALDH1A1 1619/4885POLB 1322/4885
US-11827616-B2 Heterocyclic compounds as pesticides DDT, CHRM1, ACHE KDM4E 1052/4885ALDH1A1 1236/4885POLB 4737/4885
US-20060287349-A1 17-HETEROCYCLIC-4-AZASTEROID DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS AR, SHBG, NR5A1 KDM4E 872/4885ALDH1A1 1800/4885POLB 1817/4885
US-20240109860-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES DDT, CHRM1, ACHE KDM4E 1052/4885ALDH1A1 1236/4885POLB 4737/4885
US-20240059691-A1 ENZYME INHIBITORS SERPINB1, XDH, ACE KDM4E 1708/4885ALDH1A1 627/4885POLB 424/4885
US-20080125399-A1 17 Beta-Acetamide-4-Azasteroids As Androgen Receptor Modulators AR, CYP17A1, SHBG KDM4E 1067/4885ALDH1A1 967/4885POLB 1251/4885

“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.