SCHEMBL333551

SCHEMBL333551

Fc1ccc(CBr)cc1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
KDM4E B2RXH2 3/20 0.49
PARP1 P09874 2/20 0.39
FAAH O00519 1/20 0.36
VCP P55072 1/20 0.35
MEP1B Q16820 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 2/20 0.35
TRPA1 O75762 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
HTT P42858 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33

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
SCHEMBL29418197 1.00 CYP1A2 (0.53) CYP1A2CYP2D6CYP2C9CYP2C19NPSR1
SCHEMBL3534570 0.84 CYP1A2 (0.42) CYP1A2CYP2D6CYP2C9CYP2C19NPSR1
SCHEMBL4444493 0.82 CYP1A2 (0.46) CYP1A2CYP2D6CYP2C9CYP2C19NPSR1
SCHEMBL377446 0.81 CYP1A2 (0.41) CYP1A2CYP2D6CYP2C9CYP2C19NPSR1
SCHEMBL11244115 0.81 KDM4E (0.49) CYP1A2CYP2D6CYP2C9CYP2C19NPSR1
SCHEMBL118519 0.80 HTT (0.47) CYP1A2CYP2D6CYP2C9CYP2C19NPSR1
SCHEMBL29410646 0.80 HTT (0.47) CYP1A2CYP2D6CYP2C9CYP2C19NPSR1
SCHEMBL51845 0.79 KDM4E (0.47) CYP1A2CYP2D6CYP2C9CYP2C19NPSR1
SCHEMBL3400966 0.79 KDM4E (0.47) CYP1A2CYP2D6CYP2C9CYP2C19NPSR1
SCHEMBL3751790 0.79 KDM4E (0.47) CYP1A2CYP2D6CYP2C9CYP2C19NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108727295-A A kind of 2- (3- aminophenyls)-benzothiazole derivant and its preparation method and application 济南大学 2018-11-02 CN claimed
US-20260144795-A1 SPIROMACROCYCLIC OREXIN 2 RECEPTOR AGONISTS H. LUNDBECK A/S (DK) 2026-05-28 US disclosed
US-12630528-B2 Amino aryl derivative useful as diacylglycerol acyltransferase 2 inhibitor and use thereof LG CHEM, LTD. (KR) 2026-05-19 US disclosed
EP-4720076-A1 SPIROMACROCYCLIC OREXIN 2 RECEPTOR AGONISTS H. Lundbeck A/S (DK) 2026-04-08 EP disclosed
US-12590106-B2 Spiromacrocyclic orexin 2 receptor agonists H. LUNDBECK A/S (DK) 2026-03-31 US disclosed
US-12404276-B2 Substituted pyrrolo[3,4-c]pyrazoles for treating gastric acid-related diseases SHANGHAI MEDICILON INC. (CN) 2025-09-02 US disclosed
US-20250263422-A1 SPIROMACROCYCLIC OREXIN 2 RECEPTOR AGONISTS H. LUNDBECK A/S (DK) 2025-08-21 US disclosed
WO-2025129024-A1 CEREBLON-RECRUITING DEGRADERS OF ANTIAPOPTOTIC BCL-2 PROTEINS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2025-06-19 WO disclosed
US-20250197368-A1 2-OXO-DIHYDROQUINOLINE-3-CARBOXAMIDE DERIVATIVES AS GABA TYPE A RECEPTOR MODULATORS DRAIG THERAPEUTICS LTD. (GB) 2025-06-19 US disclosed
EP-4071147-B1 NOVEL AMINO ARYL DERIVATIVE USEFUL AS DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITOR AND USE THEREOF LG CHEMICAL LTD (KR) 2025-03-26 EP disclosed
EP-0250360-A2 Substituted benzyl-cyclopropyl-methyl-ethers CIBA-GEIGY AG (CH) 1987-12-23 EP disclosed
EP-0094085-B1 ETHER COMPOUNDS, THEIR PRODUCTION AND AN INSECTICIDAL AND/OR ACARICIDAL COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-01-02 EP disclosed
US-4562213-A Certain phenoxy-benzyloxy ether derivatives and an insecticidal and/or acaricidal composition containing the same and methods of use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-12-31 US disclosed
EP-0094085-A1 Ether compounds, their production and an insecticidal and/or acaricidal composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-11-16 EP disclosed
EP-0024612-B1 NEW 4-FLUORO-3-PHENOXY-BENZYL-ETHERS, PROCESS FOR THEIR PREPARATION AND THEIR USE BAYER AG (DE) 1983-10-05 EP disclosed
US-4381412-A INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1983-04-26 US disclosed
EP-0059365-A2 3-Bromo-4-fluoro-benzyl derivatives, and methods for their preparation BAYER AG (DE) 1982-09-08 EP disclosed
US-4326087-A REACTING 3-BROMO-4-FLUORO-BENZYL ALCOHOL WITH A CHLORINATING OR BROMINATING AGENT OR 3-BROMO-4-FLUORO-BENZOYL FLUORIDE WITH A HYDRIDE BAYER AKTIENGESELLSCHAFT (DE) 1982-04-20 US disclosed
EP-0045430-A1 Process for the bromination in the alpha-position of possibly substituted fluortoluenes and mixtures of possibly substituted fluortoluenes having a different number of bromine atoms in the alpha-position BAYER AG (DE) 1982-02-10 EP disclosed
EP-0024612-A2 New 4-fluoro-3-phenoxy-benzyl-ethers, process for their preparation and their use BAYER AG (DE) 1981-03-11 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 (6 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-20260144795-A1 SPIROMACROCYCLIC OREXIN 2 RECEPTOR AGONISTS HCRTR2, HCRTR1, CRHR1 CYP1A2 667/4885CYP2D6 893/4885CYP2C9 1608/4885
US-20250197368-A1 2-OXO-DIHYDROQUINOLINE-3-CARBOXAMIDE DERIVATIVES AS GABA TYPE A RECEPTOR MODULATORS GABRA2, GABRA3, GABRB2 CYP1A2 181/4885CYP2D6 618/4885CYP2C9 834/4885
US-12404276-B2 Substituted pyrrolo[3,4-c]pyrazoles for treating gastric acid-related diseases GIPR, PGC, GRPR CYP1A2 486/4885CYP2D6 1065/4885CYP2C9 660/4885
US-12590106-B2 Spiromacrocyclic orexin 2 receptor agonists HCRTR2, HCRTR1, OXER1 CYP1A2 415/4885CYP2D6 481/4885CYP2C9 738/4885
US-12630528-B2 Amino aryl derivative useful as diacylglycerol acyltransferase 2 inhibitor and use thereof DGAT2, DGAT1, SOAT2 CYP1A2 368/4885CYP2D6 288/4885CYP2C9 461/4885
US-20250263422-A1 SPIROMACROCYCLIC OREXIN 2 RECEPTOR AGONISTS HCRTR2, HCRTR1, CRHR2 CYP1A2 530/4885CYP2D6 1159/4885CYP2C9 1513/4885

“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.