SCHEMBL550149

SCHEMBL550149

Clc1ccccc1-c1ccccn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.59
KDM4E B2RXH2 6/20 0.56
CCR1 P32246 3/20 0.56
CCR5 P51681 3/20 0.56
CCR8 P51685 3/20 0.56
LMNA P02545 3/20 0.56
CYP1A2 P05177 1/20 0.56
POLB P06746 1/20 0.56
METAP1 P53582 1/20 0.56
BLM P54132 1/20 0.56
HIF1A Q16665 1/20 0.56
DOHH Q9BU89 1/20 0.56
P4HTM Q9NXG6 1/20 0.56
CYP19A1 P11511 1/20 0.51
MAPK14 Q16539 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPT P10636 3/20 0.49
DCTPP1 Q9H773 1/20 0.49
IDO1 P14902 1/20 0.48

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
SCHEMBL28331391 0.85 GRM5 (0.62) GRM5KDM4ECCR1CCR5CCR8
SCHEMBL28936052 0.84 CYP2A6 (0.54) GRM5KDM4ECCR1CCR5CCR8
SCHEMBL858806 0.83 KDM4E (0.72) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL25462779 0.82 GRM5 (0.48) GRM5KDM4ECCR1CCR5CCR8
SCHEMBL11064947 0.82 IDO1 (0.51) GRM5KDM4ECCR1CCR5CCR8
SCHEMBL31558882 0.82 KDM4E (0.56) GRM5KDM4ECCR1CCR5CCR8
SCHEMBL29652637 0.81 GRM5 (0.46) GRM5KDM4ECCR1CCR5CCR8
SCHEMBL12853986 0.80 KDM4E (0.68) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL12853975 0.80 KDM4E (0.68) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL22881677 0.80 KDM4E (0.68) KDM4ECCR1CCR5CCR8LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10343998-B2 Synthetic path to pharmaceutically acceptable Vismodegib AZAD PHARMACEUTICAL INGREDIENTS AG (CH) 2019-07-09 US claimed
EP-3381900-A1 NEW SYNTHETIC PATH TO PHARMACEUTICALLY ACCEPTABLE VISMODEGIB AZAD Pharmaceutical Ingredients AG (CH) 2018-10-03 EP claimed
US-20180273477-A1 Synthetic Path To Pharmaceutically Acceptable Vismodegib AZAD PHARMACEUTICAL INGREDIENTS AG (CH) 2018-09-27 US claimed
US-8110642-B2 Synthesis of vinylphenylpyridine and living anionic polymerization GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-02-07 US claimed
CN-118284339-A Antiviral agent, antiviral product and antiviral treatment liquid 共同印刷株式会社 2024-07-02 CN disclosed
CN-115558392-B Aluminum frame mirror and assembly process 江苏通达家居用品有限公司 2023-11-21 CN disclosed
CN-117082976-A Stable emulsions 安道麦阿甘有限公司 2023-11-17 CN disclosed
CN-109912603-B Practical method for synthesizing novel bioactive molecules by using N-methoxyamide as nitrogen source 苏州大学 2021-08-03 CN disclosed
EP-3227018-B1 CHELATION DIRECTED C-H ACTIVATION REACTIONS CATALYZED BY SOLID-SUPPORTED PALLADIUM(II) CATALYSTS UNIV VIRGINIA COMMONWEALTH (US) 2021-06-30 EP disclosed
EP-3227018-B1 CHELATION DIRECTED C-H ACTIVATION REACTIONS CATALYZED BY SOLID-SUPPORTED PALLADIUM(II) CATALYSTS UNIV VIRGINIA COMMONWEALTH (US) 2021-06-30 EP disclosed
US-10961266-B2 Chemoselective methylene hydroxylation in aromatic molecules THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2021-03-30 US disclosed
US-20200087331-A1 CHEMOSELECTIVE METHYLENE HYDROXYLATION IN AROMATIC MOLECULES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2020-03-19 US disclosed
WO-2001010395-A1 USE OF SYNTHETIC POLYMERS HANS SCHWARZKOPF GMBH & CO. KG (DE) 2001-02-15 WO disclosed
CN-1046218-C Process for the carbonylation of acetylenically unsaturated compounds SHELL INT RESEARCH (NL) 1999-11-10 CN disclosed
CN-1088851-A The catalyst system that the carbonylation of acetylenically unsaturated compound is used SHELL INT RESEARCH (NL) 1994-07-06 CN disclosed
US-4727148-A Certain aromatization process for preparing 1-alkyl-1,4-dihydro-4-oxo-7-(4-pyridyl)-3-quinoline carboxylic acid ETHYL CORPORATION (US) 1988-02-23 US disclosed
US-4649202-A Brominative aromatization of 4-cyclohexenylpyridines ETHYL CORPORATION (US) 1987-03-10 US disclosed
US-4604467-A Certain 4-(3,4-dibromocyclohexyl)pyridines ETHYL CORPORATION (US) 1986-08-05 US disclosed
US-4135045-A PROCESS FOR POLYMERIZATION OF OLEFINS AND CATALYST COMPOSITION THEREFOR MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1979-01-16 US disclosed
US-4048415-A TITANIUM-ALUMINUM COORDINATION CATALYSTS MITSUI PETROCHEMICAL INDUSTRIES LTD. (JA) 1977-09-13 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-10961266-B2 Chemoselective methylene hydroxylation in aromatic molecules PAH, DBH, AHR GRM5 4493/4885KDM4E 357/4885CCR1 555/4885
US-20200087331-A1 CHEMOSELECTIVE METHYLENE HYDROXYLATION IN AROMATIC MOLECULES PAH, DBH, AHR GRM5 4493/4885KDM4E 357/4885CCR1 555/4885
US-10343998-B2 Synthetic path to pharmaceutically acceptable Vismodegib EGFR, SMO, ERBB2 GRM5 1444/4885KDM4E 3915/4885CCR1 1186/4885
US-20180273477-A1 Synthetic Path To Pharmaceutically Acceptable Vismodegib EGFR, SMO, ERBB2 GRM5 1444/4885KDM4E 3915/4885CCR1 1186/4885

“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.