SCHEMBL1047461

SCHEMBL1047461

Cc1ccc(-c2ccccc2Br)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.65
MAPK1 P28482 2/20 0.65
NPC1 O15118 4/20 0.59
RAB9A P51151 4/20 0.59
TP53 P04637 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MAOB P27338 2/20 0.44
MAOA P21397 1/20 0.44
HPGD P15428 3/20 0.44
TSHR P16473 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
USP2 O75604 1/20 0.44
HSD17B10 Q99714 1/20 0.44
POLB P06746 2/20 0.41

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
SCHEMBL12489603 0.87 ALDH1A1 (0.83) ALDH1A1MAPK1NPC1RAB9ATP53
SCHEMBL1042409 0.82 NPC1 (0.47) ALDH1A1MAPK1NPC1RAB9ATP53
SCHEMBL8036362 0.82 LMNA (0.50) ALDH1A1MAPK1NPC1RAB9ATP53
SCHEMBL18462293 0.80 NPC1 (0.46) ALDH1A1MAPK1NPC1RAB9ATP53
SCHEMBL673353 0.80 MAPK1 (0.71) ALDH1A1MAPK1NPC1RAB9ATP53
SCHEMBL3778039 0.80 ALDH1A1 (0.90) ALDH1A1MAPK1NPC1RAB9ATP53
SCHEMBL30121160 0.80 ALDH1A1 (0.90) ALDH1A1MAPK1NPC1RAB9ATP53
Ethane SCHEMBL27598501 0.80 ALDH1A1 (0.90) ALDH1A1MAPK1NPC1RAB9ATP53
SCHEMBL115115 0.79 ALDH1A1 (1.00) ALDH1A1MAPK1NPC1RAB9ATP53
SCHEMBL30451936 0.79 ALDH1A1 (1.00) ALDH1A1MAPK1NPC1RAB9ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118108679-A Preparation method of N- (triphenylmethyl) -5- (4' -methylbiphenyl-2-yl) tetrazole 南京法恩化学有限公司 2024-05-31 CN claimed
CN-108017557-B Cyanidation method for preparing nitrile compound 中国科学院兰州化学物理研究所苏州研究院 2020-11-24 CN claimed
CN-102304056-B 3-methyl-4-aryl-3-alkenyl-butyryl-pentafluoroaniline derivatives and preparation method thereof UNIV ZHEJIANG 2013-12-11 CN claimed
CN-102304056-A 3-methyl-4-aryl-3-alkenyl-butyryl-pentafluoroaniline derivatives and preparation method thereof UNIV ZHEJIANG 2012-01-04 CN claimed
CN-118852159-A Heterogeneous palladium-catalyzed selective bell wood coupling reaction and application thereof in Wilmofini intermediate synthesis 哈尔滨工业大学(深圳)(哈尔滨工业大学深圳科技创新研究院) 2024-10-29 CN disclosed
CN-118271283-A Synthesis method of 9, 10-dithio (hetero) phenanthrene 中南大学 2024-07-02 CN disclosed
CN-118108679-A Preparation method of N- (triphenylmethyl) -5- (4' -methylbiphenyl-2-yl) tetrazole 南京法恩化学有限公司 2024-05-31 CN disclosed
CN-118108679-A Preparation method of N- (triphenylmethyl) -5- (4' -methylbiphenyl-2-yl) tetrazole 南京法恩化学有限公司 2024-05-31 CN disclosed
US-20230250077-A1 SULFONYLBENZAMIDE DERIVATIVE AND CONJUGATE THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2023-08-10 US disclosed
WO-2023142485-A1 BORON-NITROGEN COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 季华恒烨(佛山)电子材料有限公司 2023-08-03 WO disclosed
CN-112552279-B Synthesis method of substituted dibenzothiophene compound 郑州海阔光电材料有限公司 2023-02-24 CN disclosed
CN-112480160-B Second-order silane derivative, chiral third-order silane derivative, preparation method of chiral fourth-order silane derivative and chiral product of chiral fourth-order silane derivative 清华大学 2022-02-11 CN disclosed
WO-2005084081-A1 ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2005-09-09 WO disclosed
EP-0879814-B1 Triaromatic compounds, compositions containing them and uses thereof CT INTERNAT DE BR RECH S DERMA (FR) 2001-11-28 EP disclosed
US-6150413-A TREATMENT OF DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR, BONE AND OPHTHALMOLOGICAL DISORDERS, AS WELL AS MAMMALIAN SKIN AND HAIR CONDITIONS; 4-(4-(BIPHENYL-2-YL)BUT-3-EN-1-YNYL)BENZOIC ACID, FOR EXAMPLE CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (FR) 2000-11-21 US disclosed
EP-0879814-A1 Triaromatic compounds, compositions containing them and uses thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1998-11-25 EP disclosed
EP-0649424-B1 DIOXCYCLOBUTENE DERIVATIVES AS ANGIOTENSIN II ANTAGONISTS KNOLL AG (DE) 1998-10-07 EP disclosed
US-5627191-A Therapeutic agents THE BOOTS COMPANY PLC (GB) 1997-05-06 US disclosed
EP-0649424-A1 DIOXCYCLOBUTENE DERIVATIVES AS ANGIOTENSIN II ANTAGONISTS Knoll AG (DE) 1995-04-26 EP disclosed
WO-1994001436-A1 DIOXCYCLOBUTENE DERIVATIVES AS ANGIOTENSIN II ANTAGONISTS THE BOOTS COMPANY PLC (GB) 1994-01-20 WO 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-20230250077-A1 SULFONYLBENZAMIDE DERIVATIVE AND CONJUGATE THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF GLP1R, HADHB, SUCNR1 ALDH1A1 226/4885MAPK1 2359/4885NPC1 2116/4885

“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.