SCHEMBL1045000

SCHEMBL1045000

Cc1ccc(-c2ccccc2Cl)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.65
MAOB P27338 2/20 0.52
HSD11B1 P28845 3/20 0.47
TNKS2 Q9H2K2 1/20 0.45
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
PLA2G7 Q13093 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
USP7 Q93009 1/20 0.41
SCN9A Q15858 1/20 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
Bicarbonate SCHEMBL27450693 0.90 CYP2A6 (0.59) CYP2A6MAOBTNKS2KMT2AMEN1
SCHEMBL1047922 0.82 CNR2 (0.50) CYP2A6
SCHEMBL8036362 0.82 LMNA (0.50) KMT2AMEN1ALDH1A1POLBKDM4E
SCHEMBL6436152 0.80 CYP2A6 (0.90) CYP2A6MAOBHSD11B1ALDH1A1HPGD
SCHEMBL29453518 0.80 CYP2A6 (0.71) CYP2A6MAOBALDH1A1KDM4EHPGD
SCHEMBL671819 0.80 CYP2A6 (0.71) CYP2A6MAOBALDH1A1KDM4EHPGD
SCHEMBL11260432 0.80 HSD11B1 (0.47) CYP2A6HSD11B1KMT2AMEN1L3MBTL1
SCHEMBL12999509 0.80 RAB9A (0.46) CYP2A6MAOBKMT2AL3MBTL1ALDH1A1
SCHEMBL12431877 0.80 BACE1 (0.53) CYP2A6HSD11B1TNKS2KMT2AMEN1
SCHEMBL23628571 0.79 CYP2A6 (1.00) CYP2A6MAOBHSD11B1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106117116-A A kind of noval chemical compound 9 (4 ' methyl biphenyl) 3 nitrocarbazoles and synthetic method thereof 别福升 2016-11-16 CN claimed
CN-101328191-B Nitrogen-containing ligand transient metal complex compound , synthetic method and use thereof SHANGHAI INST ORGANIC CHEM 2013-06-05 CN claimed
CN-118852231-A Heterogeneous palladium-catalyzed C (sp2) -H bond silylation reaction 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-114292261-B Compound and application thereof 北京燕化集联光电技术有限公司 2023-07-04 CN disclosed
WO-2023002447-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-01-26 WO disclosed
CN-114292261-A Compound and application thereof 北京燕化集联光电技术有限公司 2022-04-08 CN disclosed
EP-3242875-B1 4,5-DIHYDROIMIDAZOLE DERIVATIVES AND THEIR USE AS HISTONE DEMETHYLASE (KDM2B) INHIBITORS GENENTECH INC (US) 2022-02-23 EP disclosed
US-20200390778-A1 COMPOUNDS AND METHODS FOR TREATING OXALATE-RELATED DISEASES OXALURX, INC. 2020-12-17 US disclosed
CN-106117116-B A kind of noval chemical compound 9- (4 '-methyl biphenyl) -3- nitrocarbazoles and its synthetic method 枣庄学院 2018-08-31 CN disclosed
US-20170190669-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2017-07-06 US disclosed
EP-3153501-A1 GLUCAGON ANTAGONISTS Metabasis Therapeutics, Inc. (US) 2017-04-12 EP disclosed
US-6080870-A Biaryl substituted imidazole compounds useful as farnesyl-protein transferase inhibitors MERCK & CO., INC. (US) 2000-06-27 US disclosed
EP-1000619-A2 Method for treating glaucoma Pfizer Products Inc. (US) 2000-05-17 EP disclosed
EP-0946501-A1 PREVENTION OF LOSS AND RESTORATION OF BONE MASS BY CERTAIN PROSTAGLANDIN AGONISTS PFIZER INC. (US) 1999-10-06 EP disclosed
EP-0934236-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED AROMATIC COMPOUNDS Zeneca Limited (GB) 1999-08-11 EP disclosed
CN-1215396-A Diarylmethylidene furan derivatives, preparation method and therapeutic use thereof UNION PHARMA SCIENT APPL (FR) 1999-04-28 CN disclosed
EP-0891333-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-01-20 EP disclosed
WO-1998028264-A1 PREVENTION OF LOSS AND RESTORATION OF BONE MASS BY CERTAIN PROSTAGLANDIN AGONISTS PFIZER INC. (US) 1998-07-02 WO disclosed
WO-1998016486-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1998-04-23 WO disclosed
WO-1997036875-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 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 (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-20170190669-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABHD6, FAAH, FAAH2 CYP2A6 48/4885MAOB 1578/4885HSD11B1 3098/4885
US-20200390778-A1 COMPOUNDS AND METHODS FOR TREATING OXALATE-RELATED DISEASES XDH, PNPO, LOX CYP2A6 1089/4885MAOB 101/4885HSD11B1 747/4885

“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.