SCHEMBL1121898

SCHEMBL1121898

Cc1noc2cc(F)ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.48
DRD2 P14416 2/20 0.43
SLC6A4 P31645 1/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
ACHE P22303 2/20 0.41
CHRNA7 P36544 1/20 0.40
HTR3A P46098 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
MAOB P27338 2/20 0.39
GRM4 Q14833 3/20 0.38
SCD O00767 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
CYP1A2 P05177 1/20 0.37
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
CCNA2 P20248 1/20 0.37

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
SCHEMBL18805037 1.00 BRD4 (0.48) BRD4DRD2SLC6A4CHRNB2CHRNA4
SCHEMBL12209283 0.84 GRM4 (0.49) BRD4CHRNB2CHRNA4HTR3AGRM4
SCHEMBL30716972 0.84 GRM4 (0.49) BRD4CHRNB2CHRNA4HTR3AGRM4
SCHEMBL30106863 0.83 BRD4 (0.42) BRD4DRD2SLC6A4CHRNB2CHRNA4
SCHEMBL4399692 0.79 CHRNB2 (0.45) BRD4CHRNB2CHRNA4CHRNA7HTR3A
SCHEMBL20393972 0.78 ACHE (0.42) DRD2SLC6A4ACHECHRNA7HTR3A
SCHEMBL10222158 0.76 ALDH1A1 (0.49) BRD4CHRNB2CHRNA4CHRNA7HTR3A
SCHEMBL4098321 0.76 ALDH1A1 (0.44) BRD4CHRNB2CHRNA4ACHEGRM4
SCHEMBL745847 0.76 ESR1 (0.62) ESR1ESR2
SCHEMBL18788867 0.76 CHRNB2 (0.42) BRD4CHRNB2CHRNA4GRM4ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117304205-A Benzimidazole ternary fused ring compound, pharmaceutically acceptable salt thereof and application thereof 中国科学院广州生物医药与健康研究院 2023-12-29 CN disclosed
EP-3192792-B1 AMINOSULFONYL-BASED COMPOUNDS, PREPARATION METHOD THEREFOR AND USE THEREOF SUZHOU VIGONVITA LIFE SCIENCES CO LTD (CN) 2022-03-09 EP disclosed
CN-109574945-B Isoxazoline derivatives and their use in agriculture 东莞市东阳光农药研发有限公司 2021-04-20 CN disclosed
EP-3733670-A1 TETRAHYDROPYRROLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF Mediconns (Shanghai) Biopharmaceutical Co., Ltd (CN) 2020-11-04 EP disclosed
WO-2020156312-A1 POLYCYCLIC DERIVATIVE MODULATOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 江苏豪森药业集团有限公司 2020-08-06 WO disclosed
US-10259800-B2 Method of fluorination using iodonium ylides THE GENERAL HOSPITAL CORPORATION (US) 2019-04-16 US disclosed
US-10259800-B2 Method of fluorination using iodonium ylides THE GENERAL HOSPITAL CORPORATION (US) 2019-04-16 US disclosed
US-10093679-B2 Amino sulfonyl-based compounds, the preparation method therefor and use thereof SUZHOU VIGONVITA LIFE SCIENCES CO., LTD (CN) 2018-10-09 US disclosed
US-20170298080-A1 AMINOSULFONYL COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2017-10-19 US disclosed
US-20170298080-A1 AMINOSULFONYL COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2017-10-19 US disclosed
US-6355796-B1 REACTING BETA-AMINO-BETA-(PERFLUOROALKYL)ACRYLATE COMPOUND WITH BASE AND CARBAMOYL CHLORIDE COMPOUND TO FORM UREA COMPOUND, REACTING UREA COMPOUND WITH PHOSPHORUS PENTAHALIDE OR OXALYL HALIDE BASF AKTIENGESELLSCHAFT (DE) 2002-03-12 US disclosed
EP-1171427-A1 PROCESS FOR THE PREPARATION OF 6-(PERFLUOROALKYL) URACIL COMPOUNDS FROM UREA COMPOUNDS AMERICAN CYANAMID COMPANY (US) 2002-01-16 EP disclosed
EP-1150962-A1 PROCESS FOR THE PREPARATION OF 6-(PERFLUOROALKYL)URACIL COMPOUNDS FROM CARBAMATE COMPOUNDS AMERICAN CYANAMID COMPANY (US) 2001-11-07 EP disclosed
US-6313295-B1 REACTING CARBAMATE WITH AMINE; CYCLIZATION, ALKYLATION BASF AKTIENGESELLSCHAFT (DE) 2001-11-06 US disclosed
US-6191275-B1 REACTING ETHYL 3-((N,N-DIMETHYLCARBAMOYL)AMINO)-4,4,4-TRIFLUOROCROTONATE, FOR EXAMPLE WITH AMINO COMPOUNDS IN ACID OR BASE TO FORM HERBICIDES OF FORMULA 1-(OPTIONALLY ALKYL), 3-(SUBSTITUTED),6-(PERFLUOROALKYL)-1H,4H-PYRIMIDINE-2,4-DIONE AMERICAN CYANAMID COMPANY 2001-02-20 US disclosed
US-6156700-A 3-(1,2-Benzisothiazol- and isoxazol-5-yl)-2,4(1H,3H)-pyrimidinedione or thione and 3-(1,2-benzisothiazol- and isoxazol-5-yl)-4(3H)-pyrimidinone or thione herbicidal agents AMERICAN CYANMID COMPANY (US) 2000-12-05 US disclosed
US-6140270-A BY REACTING THEM WITH AN AMINE COMPOUND AND AN ACID OR BASE; HERBICIDES AMERICAN CYANAMID COMPANY 2000-10-31 US disclosed
WO-2000049003-A1 PROCESS FOR THE PREPARATION OF 6-(PERFLUOROALKYL)URACIL COMPOUNDS FROM CARBAMATE COMPOUNDS AMERICAN CYANAMID COMPANY (US) 2000-08-24 WO disclosed
WO-2000049004-A1 PROCESS FOR THE PREPARATION OF 6-(PERFLUOROALKYL) URACIL COMPOUNDS FROM UREA COMPOUNDS AMERICAN CYANAMID COMPANY (US) 2000-08-24 WO disclosed
EP-0908457-A1 3-(1,2-benzisothiazol- and isoxazol-5-Y1)-2,4(1H,3H)-pyrimidinedione or thione and 3-(1,2-benzisothiazol- and isoxazol-5-y1)-4(3H)-pyrimidinone or thione herbicidal agents American Cyanamid Company (US) 1999-04-14 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-10093679-B2 Amino sulfonyl-based compounds, the preparation method therefor and use thereof SLC6A11, HADHB, NOTUM BRD4 3665/4885DRD2 3984/4885SLC6A4 256/4885
US-20170298080-A1 AMINOSULFONYL COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF NOTUM, ALDH7A1, HADHB BRD4 3079/4885DRD2 4432/4885SLC6A4 657/4885
US-10259800-B2 Method of fluorination using iodonium ylides FLI1, ABL1, PFAS BRD4 177/4885DRD2 2124/4885SLC6A4 942/4885

“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.