SCHEMBL491211

SCHEMBL491211

O=C(O)c1csc(C2CCNCC2)n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 1/20 0.46
▸ AOC3 Q16853 1/20 0.45
▸ BAZ2A Q9UIF9 2/20 0.44
▸ CASP8 Q14790 1/20 0.44
▸ GSK3B P49841 1/20 0.43
▸ DYRK1A Q13627 1/20 0.43
▸ LDHA P00338 1/20 0.40
▸ PLAT P00750 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ HCAR2 Q8TDS4 1/20 0.36
▸ PTGER2 P43116 1/20 0.35

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
SCHEMBL1141577 0.88 CASP8 (0.49) CASP8LDHAL3MBTL1ALDH1A1KDM4E
SCHEMBL417132 0.86 AOC3 (0.47) HPGDSAOC3BAZ2AGSK3BDYRK1A
SCHEMBL13997973 0.86 BAZ2A (0.52) HPGDSAOC3BAZ2AGSK3BDYRK1A
SCHEMBL2143075 0.85 CASP8 (0.47) CASP8LDHAKMT2AL3MBTL1ALDH1A1
SCHEMBL1247127 0.85 LDHA (0.49) CASP8LDHAKMT2AL3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL2516985 0.84 BAZ2A (0.51) HPGDSAOC3BAZ2AGSK3BDYRK1A
SCHEMBL996815 0.83 LDHA (0.51) CASP8LDHAKMT2AL3MBTL1ALDH1A1
SCHEMBL24362835 0.82 CASP8 (0.45) CASP8LDHAL3MBTL1ALDH1A1KDM4E
SCHEMBL3553602 0.82 CASP8 (0.45) CASP8LDHAL3MBTL1ALDH1A1KDM4E
SCHEMBL10037307 0.82 BAZ2A (0.48) BAZ2ACASP8LDHAHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104853604-B The composition of alcoxylates comprising agricultural chemicals and the amine of 2 isopropyl, 5 methyl hexane 1 巴斯夫欧洲公司 2017-12-15 — — CN disclosed
CN-103717578-B Fungicidal substituted 1- {2- [ 2-halo-4- (4-halophenoxy) phenyl ] -2-ethoxyethyl } -1H- [1,2,4] triazole compounds 巴斯夫欧洲公司 2016-12-21 — — CN disclosed
CN-103717579-B Fungicidal substituted 1- {2- [ 2-halo-4- (4-halophenoxy) phenyl ] -2-alkoxy-2-cyclylethyl } -1H- [1,2,4] triazole compounds 巴斯夫欧洲公司 2016-10-12 — — CN disclosed
CN-106029645-A N-substituted imino heterocyclic compounds 巴斯夫欧洲公司 2016-10-12 — — CN disclosed
CN-103492378-B Parasite killing pyrazole compound 巴斯夫欧洲公司 2016-09-28 — — CN disclosed
CN-105682459-A Composition comprising a pesticide and an amide 巴斯夫欧洲公司 2016-06-15 — — CN disclosed
CN-104411170-A Adjuvant comprising a 2-propylheptylamine alkoxylate, sugar-based surfactant, and drift-control agent and/or humectant BASF SE 2015-03-11 — — CN disclosed
US-8106048-B2 protozoal infestations in humans and animals, by bacteria, viruses or proteinaceous agents; neurological diseases or disorders; ischemia and/or reperfusion injury; 4-(4-Ethoxycarbonyl-4,5-dihydro-thiazol-2-yl)-piperidine-1-carboxylic acid t-butyl ester 4SC AG (DE) 2012-01-31 — — US disclosed
CN-101031567-B Novel heterocyclic NF-kB inhibitors 4SC Corp.,Ltd. (DE) 2011-12-21 — — CN disclosed
US-7812041-B2 Heterocyclic NF-κB inhibitors 4SC AG (DE) 2010-10-12 — — US disclosed
US-20100048583-A1 Novel Heterocyclic NF-kB Inhibitors 4SC AG (DE) 2010-02-25 — — US disclosed
US-20080261971-A1 Novel Heterocyclic Nf-Kb Inhibitors 4SC AG (DE) 2008-10-23 — — US disclosed
CN-101031567-A Novel heterocyclic NF-kB inhibitors 4SC AG (DE) 2007-09-05 — — CN disclosed
CN-1972923-A Piperidine derivatives as modulators of chemokine receptor ccr5 ASTRAZENECA AB (SE) 2007-05-30 — — CN disclosed
US-20060069102-A1 Novel heterocyclic NF-kB inhibitors 4 SC AG (DE) 2006-03-30 — — 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 (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-20100048583-A1 Novel Heterocyclic NF-kB Inhibitors NFKBIA, NFKB2, NFRKB HPGDS 2327/4885AOC3 1287/4885BAZ2A 1702/4885
US-20080261971-A1 Novel Heterocyclic Nf-Kb Inhibitors NFKBIA, NFKB2, NFRKB HPGDS 2176/4885AOC3 1551/4885BAZ2A 1189/4885
US-20060069102-A1 Novel heterocyclic NF-kB inhibitors NFKBIA, NFKB2, NFRKB HPGDS 2315/4885AOC3 1312/4885BAZ2A 1676/4885

“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