Sugi Predict

Sugi Predict / Compounds / SCHEMBL395484

SCHEMBL395484

SCHEMBL395484

CC(C)(C#N)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.47
▸ ACHE P22303 1/20 0.47
▸ HSD11B1 P28845 1/20 0.44
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA5A P35218 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ ALDH1A1 P00352 6/20 0.42
▸ RECQL P46063 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ MAPT P10636 3/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ MMP14 P50281 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HPGD P15428 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
SCHEMBL4553961 0.87 TDP1 (0.41) HSD17B10ACHEHSD11B1CA1CA2
SCHEMBL28455171 0.86 HSD17B10 (0.48) HSD17B10ACHEHSD11B1CA1CA2
SCHEMBL7865942 0.81 HSD11B1 (0.49) HSD17B10ACHEHSD11B1CA1CA2
SCHEMBL26218767 0.81 MAPT (0.47) HSD17B10ACHEHSD11B1CA1CA2
SCHEMBL1013141 0.79 PTPRC (0.55) ACHEALDH1A1MAPTMEN1KMT2A
SCHEMBL2815328 0.79 ALDH1A1 (0.48) HSD17B10ACHEHSD11B1CA1CA2
SCHEMBL6563317 0.78 KIF11 (0.41) HSD17B10ALDH1A1KDM4EMAPK1MAPT
SCHEMBL9905097 0.78 HSD11B1 (0.46) HSD17B10ACHEHSD11B1CA1CA2
SCHEMBL1538287 0.77 HSD17B10 (0.56) HSD17B10ACHEHSD11B1CA1CA2
SCHEMBL397351 0.77 HSD17B10 (0.56) HSD17B10ACHEHSD11B1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104744302-A Preparation method of 2-(4-aminophenyl)-2-methyl propionitrile compound SHANGHAI PHARMVALLEY CORP 2015-07-01 — — CN claimed
EP-4642767-A1 PYRIMIDINE CARBOXAMIDE COMPOUNDS Acrivon Therapeutics, Inc. (US) 2025-11-05 — — EP disclosed
US-20240246984-A1 HETEROCYCLIC JAK INHIBITOR BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2024-07-25 — — US disclosed
WO-2024145505-A1 PYRIMIDINE CARBOXAMIDE COMPOUNDS ACRIVON THERAPEUTICS, INC. (US) 2024-07-04 — — WO disclosed
CN-115724747-B Preparation method of ethylenediamine compound 华南理工大学 2024-03-15 — — CN disclosed
EP-4310088-A1 HETEROCYCLIC JAK INHIBITOR Beijing InnoCare Pharma Tech Co., Ltd. (CN) 2024-01-24 — — EP disclosed
US-20230321050-A1 Heterocyclic Compounds and Uses Thereof MILLENNIUM PHARMACEUTICALS, INC. 2023-10-12 — — US disclosed
CN-111187181-B Preparation method of 2- (4-aminophenyl) -2-methylpropanenitrile compound 吉林大学 2023-05-05 — — CN disclosed
CN-115724747-A Preparation method of ethylenediamine compound 华南理工大学 2023-03-03 — — CN disclosed
WO-2022127869-A1 HETEROCYCLIC JAK INHIBITOR 北京诺诚健华医药科技有限公司 2022-06-23 — — WO disclosed
WO-2006123145-A1 ANTIFUNGAL AGENTS F2G LTD (GB) 2006-11-23 — — WO disclosed
EP-1689747-A1 1H-IMIDAZO [4,5-C] QUINOLINE DERIVATIVES IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES Novartis AG (CH) 2006-08-16 — — EP disclosed
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders VERTEX PHARMACEUTICALS INCORPORATED 2006-04-06 — — US disclosed
WO-2006002421-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-01-05 — — WO disclosed
WO-2005054238-A1 1H-IMIDAZO[4,5-C]QUINOLINE DERIVATIVES IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2005-06-16 — — WO disclosed
US-6492378-B1 Substituted isoquinoline derivatives and their use as anticonvulsivants SMITHKLINE BEECHAM P.L.C. (GB) 2002-12-10 — — US disclosed
EP-1104404-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 2001-06-06 — — EP disclosed
WO-2000009486-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSIVANTS SMITHKLINE BEECHAM P.L.C. (GB) 2000-02-24 — — WO disclosed
US-4882342-A CARDIOVASCULAR DISORDERS BOEHRINGER MANNHEIM GMBH (DE) 1989-11-21 — — US disclosed
EP-0266558-A2 5-Alkylbenzimidazoles, process for their preparation and medicaments containing them Roche Diagnostics GmbH (DE) 1988-05-11 — — EP 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-20230321050-A1 Heterocyclic Compounds and Uses Thereof PIK3CA, PIK3CD, PIK3CB HSD17B10 1819/4885ACHE 2586/4885HSD11B1 1906/4885
US-20240246984-A1 HETEROCYCLIC JAK INHIBITOR JAK2, JAK1, JAK3 HSD17B10 1975/4885ACHE 4699/4885HSD11B1 1402/4885
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders CFTR, ABCC4, ABCC2 HSD17B10 1602/4885ACHE 4780/4885HSD11B1 2138/4885

“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.