SCHEMBL395260

SCHEMBL395260

COc1ccccc1-c1ccccc1N

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.67
ADRA2B P18089 1/20 0.67
PTGS1 P23219 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.59
KDM4E B2RXH2 1/20 0.55
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA4 P22748 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
APP P05067 1/20 0.52
HSD17B10 Q99714 2/20 0.49
GAA P10253 1/20 0.49
JAK2 O60674 1/20 0.47
HSP90AA1 P07900 2/20 0.47
ADORA2A P29274 3/20 0.47
MEN1 O00255 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
SCHEMBL29788337 0.85 CA1 (0.71) ALDH1A1ADRA2BPTGS1TDP1L3MBTL1
SCHEMBL29429633 0.85 CA1 (0.71) ALDH1A1ADRA2BPTGS1TDP1L3MBTL1
SCHEMBL3781068 0.85 ALDH1A1 (0.59) ALDH1A1ADRA2BPTGS1TDP1L3MBTL1
SCHEMBL1922106 0.85 ALDH1A1 (0.59) ALDH1A1ADRA2BPTGS1TDP1KDM4E
SCHEMBL301996 0.85 CA1 (0.71) ALDH1A1ADRA2BPTGS1TDP1L3MBTL1
SCHEMBL13724253 0.84 ALDH1A1 (0.57) ALDH1A1ADRA2BPTGS1TDP1KDM4E
SCHEMBL18550731 0.84 ALDH1A1 (0.57) ALDH1A1ADRA2BPTGS1TDP1L3MBTL1
SCHEMBL30170729 0.84 ALDH1A1 (0.57) ALDH1A1ADRA2BPTGS1TDP1L3MBTL1
SCHEMBL17927356 0.84 ALDH1A1 (0.57) ALDH1A1ADRA2BPTGS1TDP1L3MBTL1
SCHEMBL30599266 0.83 CA1 (0.67) ALDH1A1ADRA2BPTGS1TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070089784-A1 Solar cell-driven display device and method of manufacturing thereof SAMSUNG ELECTRONICS CO., LTD. (KR) 2007-04-26 US claimed
CN-117924369-A Phosphite group-containing carbazole polymerization inhibitor, preparation method and application thereof 万华化学集团股份有限公司 2024-04-26 CN disclosed
CN-116924991-A Preparation method of 6-chloro-2-methyl-5-nitro-2H-indazole 北京白泽瑞成医药科技有限公司 2023-10-24 CN disclosed
CN-115403523-A Biquinoline-aryl phenol framework compound with axial chirality and preparation method and application thereof 中国科学院成都有机化学有限公司 2022-11-29 CN disclosed
EP-3705477-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-09-09 EP disclosed
US-10662192-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-05-26 US disclosed
US-20200131133-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME HEESUNG MATERIAL LTD. (KR) 2020-04-30 US disclosed
EP-3216787-B1 INTERMEDIATES FOR THE PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2020-02-19 EP disclosed
US-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-05-16 US disclosed
EP-3216787-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2017-09-13 EP disclosed
EP-1434773-A2 HETEROARYL SUBSTITUTED TETRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 Merck & Co., Inc. (US) 2004-07-07 EP disclosed
WO-2004030637-A2 TREATMENT OF OBESITY AND OTHER DISORDERS ASSOCIATED WITH EXCESSIVE FOOD INTAKE MERCK & CO., INC. (US) 2004-04-15 WO disclosed
US-20040058933-A1 Aryl carbamate derivatives, preperation and use thereof CEREP (FR) 2004-03-25 US disclosed
EP-1362041-A1 ARYL CARBAMATE DERIVATIVES, PREPARATION AND USE THEREOF Cerep (FR) 2003-11-19 EP disclosed
WO-2003029210-A2 HETEROARYL SUBSTITUTED TETRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO. INC. (US) 2003-04-10 WO disclosed
WO-2002068399-A1 ARYL CARBAMATE DERIVATIVES, PREPARATION AND USE THEREOF CEREP (FR) 2002-09-06 WO disclosed
EP-1175406-A1 IMIDAZOLINE DERIVATIVES AS ALPHA-1A ADRENOCEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2002-01-30 EP disclosed
WO-2000066563-A1 IMIDAZOLINE DERIVATIVES AS ALPHA-1A ADRENOCEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2000-11-09 WO disclosed
US-4670566-A ANTIIFLAMMATORY AGENTS, ANTICOAGULANTS A. H. ROBINS COMPANY, INCORPORATED (US) 1987-06-02 US disclosed
US-4440785-A Methods of using 2-aminobiphenylacetic acids, esters, and metal salts thereof to treat inflammation A. H. ROBINS COMPANY, INC. (US) 1984-04-03 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 (4 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-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALDH1A1 2165/4885ADRA2B 469/4885PTGS1 1305/4885
US-20200131133-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME CRY1, CYP1A1, CYP1B1 ALDH1A1 8/4885ADRA2B 2304/4885PTGS1 494/4885
US-10662192-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 ALDH1A1 2165/4885ADRA2B 469/4885PTGS1 1305/4885
US-20040058933-A1 Aryl carbamate derivatives, preperation and use thereof HTR4, HTR5A, HTR3C ALDH1A1 1018/4885ADRA2B 139/4885PTGS1 1091/4885

“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.