SCHEMBL2173527

SCHEMBL2173527

CC(C)(C)NC(=O)OCc1ccc(N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
F2 P00734 1/20 0.42
PLAU P00749 1/20 0.42
PLAT P00750 1/20 0.42
PPIB P23284 1/20 0.42
PPIA P62937 1/20 0.42
PPID Q08752 1/20 0.42
PPIG Q13427 1/20 0.42
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
ALDH1A1 P00352 2/20 0.41
EPHX2 P34913 1/20 0.41
TPSAB1 Q15661 3/20 0.40
PRSS1 P07477 2/20 0.40
TPSD1 Q9BZJ3 1/20 0.40
TPSG1 Q9NRR2 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
SCHEMBL4019989 0.87 TPSAB1 (0.54) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL27571682 0.86 TSHR (0.51) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL20467743 0.86 MEN1 (0.44) MEN1KMT2ASMN1; SMN2L3MBTL1F2
SCHEMBL28861927 0.85 NPC1 (0.51) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL27811154 0.85 SMN1; SMN2 (0.44) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL27574189 0.84 NPC1 (0.48) SMN1; SMN2L3MBTL1PPIBPPIAPPID
SCHEMBL28861926 0.83 MAPT (0.56) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL27805750 0.83 MEN1 (0.43) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL27848344 0.83 MEN1 (0.43) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL27532962 0.83 LMNA (0.51) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106573899-B Optionally fused, heterocyclyl-substituted pyrimidine derivatives for the treatment of inflammatory, metabolic, neoplastic and autoimmune diseases 纽韦卢森公司 2021-04-06 CN disclosed
CN-109970675-A One group of thiourea compound and its preparation method and application 中国医学科学院医药生物技术研究所 2019-07-05 CN disclosed
CN-109743875-A The inhibitor of MENIN-MLL interaction 生命医药公司 2019-05-10 CN disclosed
CN-109476696-A Anti-trypanosome and anti-leishmania agents for animals and humans 细胞基因公司 2019-03-15 CN disclosed
CN-109311855-A Compound and application thereof for inhibiting cyclophilin 默克专利有限公司 2019-02-05 CN disclosed
CN-109153648-A Benzazepine diformamide compound with teritary amide functional group 豪夫迈·罗氏有限公司 2019-01-04 CN disclosed
CN-109071503-A Compound and application thereof for inhibiting cyclophilin 默克专利有限公司 2018-12-21 CN disclosed
CN-105392788-B Substituted bridging urea analog as Sirtuin conditioning agent 葛兰素史密斯克莱有限责任公司 2018-10-23 CN disclosed
CN-103951658-B Sulfamide derivative for treating abnormal cell growth 辉瑞产品公司 2017-10-13 CN disclosed
CN-107207496-A Substituted bridged ring urea analogs as sirtuin modulators 葛兰素史密斯克莱有限责任公司 2017-09-26 CN disclosed
US-20040077638-A1 Novel integrin receptor antagonists BASF AKTIENGESELLCHAFT (DE) 2004-04-22 US disclosed
US-20040063934-A1 Integrin ligands ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2004-04-01 US disclosed
CN-1374960-A novel integrin receptor antagonists BASF AG (DE) 2002-10-16 CN disclosed
CN-1367785-A Heterocyclic carboxamide-containing thiourea inhibitors of herpes viruses containing substituted phenylenediamine groups AMERICAN HOME PROD (US) 2002-09-04 CN disclosed
CN-1348446-A Heterocyclic carboxamide-containing thiourea inhibitors of herpes viruses containing phenylenediamine groups AMERICAN HOME PROD (US) 2002-05-08 CN disclosed
CN-1335843-A Thiourea inhibitors of herpes viruses AMERICAN HOME PROD (US) 2002-02-13 CN disclosed
CN-1333750-A Acetamide and substituted acetamide-containing thiourea inhibitors of herpes viruses AMERICAN HOME PROD (US) 2002-01-30 CN disclosed
CN-1333769-A Thiourea inhibitors of herps viruses AMERICAN HOME PROD (US) 2002-01-30 CN disclosed
CN-1332725-A Thiourea inhibitors of herpes viruses AMERICAN HOME PROD (US) 2002-01-23 CN disclosed
CN-1329608-A Alpha-methylbenzyl-containing thioure a inhibitors of herpes viruses containing phenylenediamine group AMERICAN HOME PROD (US) 2002-01-02 CN 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-20040063934-A1 Integrin ligands ITGB3, ITGAV, ITGAL MEN1 4388/4885KMT2A 4601/4885SMN1; SMN2 3051/4885
US-20040077638-A1 Novel integrin receptor antagonists ITGB3, ITGAV, ITGA2B MEN1 4541/4885KMT2A 4233/4885SMN1; SMN2 3359/4885

“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.