SCHEMBL301040

SCHEMBL301040

c1ccc(-c2ccsn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.44
RAB9A P51151 6/20 0.44
MEN1 O00255 5/20 0.44
NPC1 O15118 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
CYP2E1 P05181 1/20 0.41
CYP2A6 P11509 1/20 0.41
CYP2B6 P20813 1/20 0.41
ALDH1A1 P00352 5/20 0.40
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39
MAPT P10636 2/20 0.39
TSHR P16473 1/20 0.39
ATM Q13315 1/20 0.39
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38

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
Quinoline SCHEMBL28168111 0.80 ALDH1A1 (0.55) RAB9ANPC1CYP2A6ALDH1A1CYP3A4
SCHEMBL27720890 0.76 MAPT (0.46) KMT2ARAB9AMEN1NPC1SMN1; SMN2
SCHEMBL6806970 0.76 KMT2A (0.50) KMT2ARAB9AMEN1NPC1SMN1; SMN2
SCHEMBL14754412 0.76 CYP19A1 (0.44) KMT2ARAB9AMEN1NPC1SMN1; SMN2
SCHEMBL6734427 0.76 CYP2A6 (0.54) RAB9ANPC1SMN1; SMN2CYP2E1CYP2A6
SCHEMBL3618672 0.74 CYP1A2 (0.56) KMT2ARAB9AMEN1NPC1SMN1; SMN2
SCHEMBL8488514 0.74
SCHEMBL3725904 0.74 KDM4E (0.50) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL6740306 0.74 MEN1 (0.49) KMT2ARAB9AMEN1NPC1SMN1; SMN2
SCHEMBL11830124 0.72 ALDH1A1 (0.38) CYP2A6ALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112552257-A 3, 5-disubstituted isothiazole compound and synthesis method and application thereof 五邑大学 2021-03-26 CN claimed
CN-101230248-A Sealing strip using epdm rubber as host material DANYANG WANBEN AUTOMOTIVE PART (CN) 2008-07-30 CN claimed
EP-1592801-A4 TANDEM ANALYSES OF NONCOVALENTLY DRIVEN EFFECTORS FOR MODULATORY MAPPING OF ACTIVITIES OF PROTEIN SITES ADVANCED PROTEOME THERAPEUTICS (US) 2008-04-30 EP claimed
EP-1592801-A2 TANDEM ANALYSES OF NONCOVALENTLY DRIVEN EFFECTORS FOR MODULATORY MAPPING OF ACTIVITIES OF PROTEIN SITES Advanced Proteome Therapeutics Inc. (US) 2005-11-09 EP claimed
WO-2004066917-A2 TANDEM ANALYSES OF NONCOVALENTLY DRIVEN EFFECTORS FOR MODULATORY MAPPING OF ACTIVITIES OF PROTEIN SITES ADVANCED PROTEOME THERAPEUTICS, INC (US) 2004-08-12 WO claimed
CN-1139671-A 4-alkylsulfur pyrimidine-5-acetous derivant SANDOZ LTD (CH) 1997-01-08 CN claimed
JP-6211815-A None JP disclosed
CN-122029158-A EGFR inhibitors 缆图药品公司 2026-05-12 CN disclosed
CN-116063241-B Synthesis process of 5-bromo-3-phenylisothiazole 上海予君生物科技发展有限公司 2024-11-15 CN disclosed
CN-118903118-A Use of 3-substituted naphtho [2,3-b ] isoxazole-4, 9-dione derivatives for anti-psoriasis 中南大学 2024-11-08 CN disclosed
US-20230167103-A1 SUBSTITUTED AMINOTHIAZOLES AS DGKZETA INHIBITORS FOR IMMUNE ACTIVATION BAYER AKTIENGESELLSCHAFT (DE) 2023-06-01 US disclosed
CN-116063241-A Synthesis process of 5-bromo-3-phenylisothiazole 上海予君生物科技发展有限公司 2023-05-05 CN disclosed
CN-112159364-B Synthetic method of isothiazole derivative 温州大学 2022-06-24 CN disclosed
EP-0578477-A1 Treatment of inflammatory bowel disease ELI LILLY AND COMPANY (US) 1994-01-12 EP disclosed
CN-1049660-A Aminoketone derivative and application thereof MITZUI TOATSU CHEMICALS INC (JP) 1991-03-06 CN disclosed
EP-0414391-A2 Aminoketone derivatives and use thereof MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-02-27 EP disclosed
US-4544752-A TREATMENT OF GOUT; ANTIARTHRITIC AGENTS ELI LILLY AND COMPANY (US) 1985-10-01 US disclosed
EP-0048615-B1 IMPROVEMENTS IN OR RELATING TO 3-ARYL-5-ISOTHIAZOLE DERIVATIVES ELI LILLY AND COMPANY (US) 1984-05-30 EP disclosed
US-4346094-A ENZYME INHIBITORS ELI LILLY AND COMPANY (US) 1982-08-24 US disclosed
EP-0048615-A1 Improvements in or relating to 3-aryl-5-isothiazole derivatives ELI LILLY AND COMPANY (US) 1982-03-31 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 (1 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-20230167103-A1 SUBSTITUTED AMINOTHIAZOLES AS DGKZETA INHIBITORS FOR IMMUNE ACTIVATION DGKZ, DGKA, DGKG KMT2A 1166/4885RAB9A 949/4885MEN1 4290/4885

“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.