SCHEMBL4736965

SCHEMBL4736965

N#Cc1c(Cl)cccc1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.56
▸ ADORA2A P29274 4/20 0.50
▸ ADORA1 P30542 4/20 0.50
▸ L3MBTL1 Q9Y468 4/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ DYRK1A Q13627 1/20 0.50
▸ ALDH1A1 P00352 8/20 0.49
▸ KDM4E B2RXH2 5/20 0.49
▸ POLB P06746 2/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ MAPK1 P28482 2/20 0.42
▸ ATM Q13315 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
SCHEMBL29663330 1.00 CYP2A6 (0.56) CYP2A6ADORA2AADORA1L3MBTL1KMT2A
SCHEMBL12679716 0.85 ALDH1A1 (0.52) ADORA2AADORA1L3MBTL1KMT2ALMNA
SCHEMBL26553310 0.80 ADORA2A (0.48) CYP2A6ADORA2AADORA1L3MBTL1KMT2A
SCHEMBL25864403 0.80 ADORA2A (0.45) ADORA2AADORA1L3MBTL1KMT2ALMNA
SCHEMBL20740876 0.79 ALDH1A1 (0.47) ADORA2AADORA1L3MBTL1KMT2ALMNA
SCHEMBL29029145 0.78 CYP2A6 (0.43) CYP2A6ADORA2AADORA1L3MBTL1KMT2A
SCHEMBL4958212 0.78 ALDH1A1 (0.53) ADORA2AADORA1L3MBTL1KMT2ALMNA
Dichlobenil SCHEMBL1701380 0.78 ALDH1A1 (0.55) CYP2A6L3MBTL1KMT2ALMNAHPGD
Dichlobenil SCHEMBL55606 0.78 ALDH1A1 (0.55) CYP2A6L3MBTL1KMT2ALMNAHPGD
SCHEMBL769515 0.78 SMN1; SMN2 (0.51) ADORA2AADORA1L3MBTL1KMT2AHPGD

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110333619-A A kind of polymer dispersed liquid crystal film and its manufacturing method based on macromolecule transparent conductive substrate 烟台如水光电科技有限公司 2019-10-15 — — CN claimed
CN-109665990-A A kind of synthesis technology of Boscalid 安徽赛乐普制药有限公司 2019-04-23 — — CN claimed
CN-106398715-A High temperature liquid crystal composition, high temperature polymer dispersed liquid crystal composition and high temperature polymer dispersed liquid crystal membrane 中节能万润股份有限公司 2017-02-15 — — CN claimed
CN-106117084-A A kind of big production method of 4 chlorine 2 ' cyanobiphenyls 江苏中旗作物保护股份有限公司 2016-11-16 — — CN claimed
US-20230331675-A1 AROMATIC ETHYLENE COMPOUND AND PREPARATION METHOD THEREFOR, AND INTERMEDIATE, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD. (CN) 2023-10-19 — — US disclosed
EP-4212511-A1 AROMATIC ETHYLENE COMPOUND AND PREPARATION METHOD THEREFOR, AND INTERMEDIATE, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF Guangzhou Maxinovel Pharmaceuticals Co., Ltd. (CN) 2023-07-19 — — EP disclosed
CN-111004149-B Method for preparing polyfluorobenzonitrile by catalytic fluorination of polychlorinated benzonitrile 大连奇凯医药科技有限公司 2022-06-07 — — CN disclosed
WO-2022052926-A1 AROMATIC ETHYLENE COMPOUND AND PREPARATION METHOD THEREFOR, AND INTERMEDIATE, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF 广州再极医药科技有限公司 2022-03-17 — — WO disclosed
CN-111004149-A Method for preparing polyfluorobenzonitrile by catalytic fluorination of polychlorinated benzonitrile 大连奇凯医药科技有限公司 2020-04-14 — — CN disclosed
CN-110333619-A A kind of polymer dispersed liquid crystal film and its manufacturing method based on macromolecule transparent conductive substrate 烟台如水光电科技有限公司 2019-10-15 — — CN disclosed
CN-109665990-A A kind of synthesis technology of Boscalid 安徽赛乐普制药有限公司 2019-04-23 — — CN disclosed
CN-106398715-A High temperature liquid crystal composition, high temperature polymer dispersed liquid crystal composition and high temperature polymer dispersed liquid crystal membrane 中节能万润股份有限公司 2017-02-15 — — CN disclosed
CN-106398715-A High temperature liquid crystal composition, high temperature polymer dispersed liquid crystal composition and high temperature polymer dispersed liquid crystal membrane 中节能万润股份有限公司 2017-02-15 — — CN disclosed
CN-106117084-A A kind of big production method of 4 chlorine 2 ' cyanobiphenyls 江苏中旗作物保护股份有限公司 2016-11-16 — — CN disclosed
CN-102203093-B Aminotriazolopyridines and their use as kinase inhibitors SIGNAL PHARM LLC 2015-05-13 — — CN disclosed
CN-102070465-B Method for preparing phenylaniline CHANGCHUN APPLIED CHEMISTRY 2013-12-18 — — CN disclosed
CN-102070465-A Method for preparing phenylaniline CHANGCHUN APPLIED CHEMISTRY 2011-05-25 — — CN disclosed
WO-2008089051-A1 N-SUBSTITUTED GLYCINE DERIVATIVES: PROLYL HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-24 — — WO disclosed
US-20080171756-A1 N-Substituted Glycine Derivatives: Prolyl Hydroxylase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-07-17 — — 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-20080171756-A1 N-Substituted Glycine Derivatives: Prolyl Hydroxylase Inhibitors HIF1AN, EGLN2, EGLN3 CYP2A6 540/4885ADORA2A 3090/4885ADORA1 2168/4885
US-20230331675-A1 AROMATIC ETHYLENE COMPOUND AND PREPARATION METHOD THEREFOR, AND INTERMEDIATE, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF PDCD1, CD274, PDCD1LG2 CYP2A6 1115/4885ADORA2A 4579/4885ADORA1 1768/4885

“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.

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