SCHEMBL540413

SCHEMBL540413

O=C(Cc1ccccc1)OBr

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
ALDH1A1 P00352 1/20 0.61
PAM P19021 1/20 0.59
TSHR P16473 1/20 0.57
CES1 P23141 2/20 0.56
CES2 O00748 1/20 0.56
AKR1B1 P15121 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
MGLL Q99685 2/20 0.47
CYP19A1 P11511 1/20 0.47
FNTA P49354 1/20 0.47
FNTB P49356 1/20 0.47

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
SCHEMBL664857 0.81 ALDH1A1 (0.65) MAPK1L3MBTL1ALDH1A1PAMTSHR
Benzene SCHEMBL9407299 0.81 ALDH1A1 (0.65) MAPK1L3MBTL1ALDH1A1PAMTSHR
SCHEMBL248113 0.81 ALDH1A1 (0.65) MAPK1L3MBTL1ALDH1A1PAMTSHR
SCHEMBL11689128 0.80 ALDH1A1 (0.70) MAPK1L3MBTL1ALDH1A1PAMTSHR
SCHEMBL2877979 0.79 ALDH1A1 (0.63) MAPK1L3MBTL1ALDH1A1PAMTSHR
SCHEMBL247574 0.79 MAPK1 (0.63) MAPK1L3MBTL1ALDH1A1PAMTSHR
SCHEMBL155716 0.78 TDP1 (0.68) MAPK1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL27660727 0.78 POLB (0.53) L3MBTL1ALDH1A1TSHRSMN1; SMN2MEN1
SCHEMBL11044523 0.78 CES1 (0.64) MAPK1L3MBTL1ALDH1A1PAMTSHR
SCHEMBL28232439 0.78 EGFR (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107082830-B Using thioxanthone copper carboxylate as opening \" click-free radical \" one kettle way of photochemical catalyst and oxygen scavenger 苏州大学 2019-03-19 CN claimed
CN-108586466-A A kind of benzene phenodiazine * class HDM2 inhibitor and its preparation method and application 中国药科大学 2018-09-28 CN claimed
CN-107082830-A Utilize opening \" click free radical \" one kettle way of thioxanthone copper carboxylate as photochemical catalyst and oxygen scavenger 苏州大学 2017-08-22 CN claimed
CN-107019807-A The polypeptide radiodiagnosis or medicine of a kind of GPC3 receptor targets 南方医科大学南方医院 2017-08-08 CN claimed
WO-2014198241-A1 THIO-1,2,4-TRIAZOLE DERIVATIVES AND METHOD FOR PREPARING THE SAME SUNSHINE LAKE PHARMA CO., LTD. (CN) 2014-12-18 WO claimed
CN-101440023-B Preparation of trans-polyhydroxy diphenyl ethylene GUANGZHOU INST OF CHEMISTRY 2011-07-20 CN claimed
CN-101962368-A Cyanurate hapten, artificial antigen and antibody, and preparation method and applications thereof UNIV SOUTH CHINA AGRICULT 2011-02-02 CN claimed
CN-101440023-A Preparation of trans-polyhydroxy diphenyl ethylene GUANGZHOU INST OF CHEMISTRY (CN) 2009-05-27 CN claimed
CN-101268037-A Asymmetric synthesis of - (+) -3- (aminomethyl) -5-methylhexanoic acid TEVA PHARMA (IL) 2008-09-17 CN claimed
EP-4565570-A1 HIGH RELAXIVITY CONTRAST AGENTS AND STEREOSELECTIVE PREPARATION Portland State University (US) 2025-06-11 EP disclosed
WO-2024030772-A1 HIGH RELAXIVITY CONTRAST AGENTS AND STEREOSELECTIVE PREPARATION PORTLAND STATE UNIVERSITY (US) 2024-02-08 WO disclosed
CN-116718707-A Method for detecting genotoxic impurities in pirenzepine bulk drug 山东达因海洋生物制药股份有限公司 2023-09-08 CN disclosed
US-11708354-B2 2-benzopyrazinyl-n-heteroaryl-2-phenyl-acetamide compounds HOFFMANN-LA ROCHE INC. (US) 2023-07-25 US disclosed
EP-3558967-B1 2-BENZOPYRAZINYL-N-HETEROARYL-2-PHENYL-ACETAMIDE COMPOUNDS HOFFMANN LA ROCHE (CH) 2022-03-02 EP disclosed
CN-101440023-A Preparation of trans-polyhydroxy diphenyl ethylene GUANGZHOU INST OF CHEMISTRY (CN) 2009-05-27 CN disclosed
US-20080287441-A1 ALPHA-(TRIFLUOROMETHYL-SUBSTITUTED ARYLOXY, ARYLAMINO, ARYLTHIO OR ARYLMETHYL)-TRIFLUOROMETHYL-SUBSTITUTED PHENYLACETIC ACIDS AND DERIVATIVES AS ANTIDIABETIC AGENTS METABOLEX, INC. (US) 2008-11-20 US disclosed
CN-101128461-A Imidazo (1, 2-a) pyridine compounds as VEGF-R2 inhibitors LILLY CO ELI (US) 2008-02-20 CN disclosed
CN-1922143-A Alpha- (trifluoromethyl-substituted aryloxy, arylamino, arylthio or arylmethyl) -trifluoromethyl-substituted phenylacetic acids and derivatives as antidiabetics METABOLEX INC (US) 2007-02-28 CN disclosed
EP-0207845-A1 Bactericides containing 4-oxopyridocarboxylic acid derivatives and process for their preparation S.A. PANMEDICA Société dite: (FR) 1987-01-07 EP disclosed
US-4496558-A Pharmaceutical compositions and methods for producing alpha antagonism SMITHKLINE BECKMAN CORPORATION (US) 1985-01-29 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 (2 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-11708354-B2 2-benzopyrazinyl-n-heteroaryl-2-phenyl-acetamide compounds EGFR, ERBB2, ERBB3 MAPK1 1096/4885L3MBTL1 2592/4885ALDH1A1 2578/4885
US-20080287441-A1 ALPHA-(TRIFLUOROMETHYL-SUBSTITUTED ARYLOXY, ARYLAMINO, ARYLTHIO OR ARYLMETHYL)-TRIFLUOROMETHYL-SUBSTITUTED PHENYLACETIC ACIDS AND DERIVATIVES AS ANTIDIABETIC AGENTS SLC5A1, GPR119, SLC5A2 MAPK1 504/4885L3MBTL1 2582/4885ALDH1A1 251/4885

“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.