SCHEMBL170685

SCHEMBL170685

CNc1ccc(C(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.47
TSHR P16473 1/20 0.46
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
KIF11 P52732 1/20 0.45
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
RAB9A P51151 2/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 1/20 0.42

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
Hydrochloric Acid SCHEMBL2865053 0.97 NFKB1 (0.45) NFKB1TSHRALDH1A1KDM4ELMNA
SCHEMBL14041742 0.87 APP (0.59) ALDH1A1KDM4ELMNASMN1; SMN2TYR
SCHEMBL14188112 0.87 APP (0.59) NFKB1ALDH1A1KDM4ELMNAGAA
SCHEMBL9320342 0.83 ESR1 (0.48) NFKB1TSHRALDH1A1MAPTKIF11
SCHEMBL23711025 0.80 TSHR (0.64) NFKB1TSHRALDH1A1KDM4ELMNA
SCHEMBL29950147 0.80 NFKB1 (0.59) NFKB1TSHRALDH1A1KDM4ELMNA
SCHEMBL28833363 0.80 ALDH1A1 (0.48) NFKB1ALDH1A1KDM4ELMNAGAA
SCHEMBL2495683 0.80 TSHR (0.48) TSHRALDH1A1MAPTKIF11HPGD
SCHEMBL3958499 0.80 NFKB1 (0.59) NFKB1TSHRALDH1A1KDM4ELMNA
SCHEMBL24017762 0.79 NOS3 (0.42) NFKB1TSHRALDH1A1KIF11HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113600190-B Copper (II) -doped carbon nanotube material and preparation method and application thereof 浙江工业大学 2025-01-07 CN claimed
CN-117886718-B Preparation method of high-selectivity asymmetric urea compound and asymmetric urea compound 内蒙古工业大学 2024-05-24 CN claimed
CN-117886718-A Preparation method of high-selectivity asymmetric urea compound and asymmetric urea compound 内蒙古工业大学 2024-04-16 CN claimed
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
CN-109678852-A 6- oxo hexahydropyrimidine derivative, preparation method and pharmacy application 南京中医药大学 2019-04-26 CN claimed
US-20100222330-A1 New Compounds BIOVITRUM AB (SE) 2010-09-02 US claimed
US-7572787-B2 Substituted naphthalene sulfonamides BIOVITRUM AB (SE) 2009-08-11 US claimed
US-20070066600-A1 Compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2007-03-22 US claimed
EP-1412325-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS, PROCESS FOR THEIR USE AS MEDICAMENT FOR THE TREATMENT OF CNS DISORDERS, OBESITY AND TYPE II DIABETES BIOVITRUM AB (SE) 2004-04-28 EP claimed
US-20030158202-A1 Substituted fused ring sulfonamides containing, e.g., naphthalene, isoquinoline, quinoline, benzofuran or benzothiophene rings; treatment of conditions relating to obesity, type II diabetes and CNS disorders PROXIMAGEN NEUROSCIENCE PLC (GB) 2003-08-21 US claimed
WO-2002100822-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS, PROCESS FOR THEIR USE AS MEDICAMENT FOR THE TREATMENT OF CNS DISORDERS, OBESITY AND TYPE II DIABETES BIOVITRUM AB (SE) 2002-12-19 WO claimed
CN-113600190-B Copper (II) -doped carbon nanotube material and preparation method and application thereof 浙江工业大学 2025-01-07 CN disclosed
WO-2024112123-A1 NOVEL COMPOUND AS SELECTIVE ESTROGEN RECEPTOR MODULATOR 재단법인 대구경북첨단의료산업진흥재단 2024-05-30 WO disclosed
CN-117886718-B Preparation method of high-selectivity asymmetric urea compound and asymmetric urea compound 内蒙古工业大学 2024-05-24 CN disclosed
CN-117886718-A Preparation method of high-selectivity asymmetric urea compound and asymmetric urea compound 内蒙古工业大学 2024-04-16 CN disclosed
EP-0321275-A2 Preparation of anilines MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1989-06-21 EP disclosed
EP-0293483-A1 PROCESS FOR PREPARING ANILINES, CATALYST THEREFOR, AND PROCESS FOR PREPARING THE CATALYST MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1988-12-07 EP disclosed
US-4558101-A FROM HYDROCARBON POLYMER CONTAINING OLEFINIC GROUPS WITH HYDROGEN CARBON MONOXIDE AND AMINE USING GROUP 8 METAL CATALYST W. R. GRACE & CO. (US) 1985-12-10 US disclosed
US-4526936-A Reacting polymeric hydrocarbon, primary or secondary amine, carbon monoxide, hydrogen, in the presence of group VIII metal catalyst W. R. GRACE & CO. (US) 1985-07-02 US disclosed
US-4312965-A Process for forming amine/amide containing polymers W. R. GRACE & CO. (US) 1982-01-26 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-20030158202-A1 Substituted fused ring sulfonamides containing, e.g., naphthalene, isoquinoline, quinoline, benzofuran or benzothiophene rings; treatment of conditions relating to obesity, type II diabetes and CNS disorders SULT2A1, SULT1A1, SULT1E1 NFKB1 1886/4885TSHR 2316/4885ALDH1A1 401/4885
US-20070066600-A1 Compounds SULT2A1, STS, SLC5A2 NFKB1 2479/4885TSHR 1299/4885ALDH1A1 262/4885
US-20100222330-A1 New Compounds SULT2A1, GPR119, STS NFKB1 2718/4885TSHR 1178/4885ALDH1A1 363/4885

“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.