SCHEMBL4733426

SCHEMBL4733426

Cc1ccccn1.Cc1ccccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
LMNA P02545 2/20 0.50
CCR1 P32246 2/20 0.50
CCR5 P51681 2/20 0.50
CCR8 P51685 2/20 0.50
CYP1A2 P05177 1/20 0.50
POLB P06746 1/20 0.50
METAP1 P53582 1/20 0.50
BLM P54132 1/20 0.50
HIF1A Q16665 1/20 0.50
DOHH Q9BU89 1/20 0.50
P4HTM Q9NXG6 1/20 0.50
GRM5 P41594 1/20 0.50
NOS3 P29474 2/20 0.46
NOS1 P29475 2/20 0.46
NOS2 P35228 2/20 0.46
NPC1 O15118 2/20 0.46
HSP90AA1 P07900 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
TDP1 Q9NUW8 3/20 0.46

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
SCHEMBL2684 1.00
SCHEMBL29472848 1.00
SCHEMBL16322907 1.00 KDM4E (0.50) KDM4ELMNACCR1CCR5CCR8
SCHEMBL29599136 1.00 KDM4E (0.50) KDM4ELMNACCR1CCR5CCR8
SCHEMBL25382981 0.97
SCHEMBL21274595 0.97
SCHEMBL21528266 0.97
Hydrochloric Acid SCHEMBL21723652 0.97
Ethane SCHEMBL6683700 0.97
Hydrochloric Acid SCHEMBL2333819 0.97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112500411-B Preparation method of 1,1 '-ethylene-2, 2' -bipyridyl dichloride salt 南京红太阳生物化学有限责任公司 2023-03-14 CN claimed
CN-115613061-A Modification method of tryptophan and indole derivatives under electrooxidation condition 浙江工业大学 2023-01-17 CN claimed
CN-115141138-B Method for constructing fluoride by decarboxylation of alkyl carboxylic acid 中山大学 2023-11-28 CN disclosed
WO-2023213271-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE , LTD. (KY) 2023-11-09 WO disclosed
CN-116940578-A 5- [5- (piperidin-4-yl) thieno [3,2-C ] pyrazol-2-yl ] indazole derivatives and related compounds as modulators for splicing nucleic acids and for the treatment of proliferative diseases 雷密克斯医疗公司 2023-10-24 CN disclosed
CN-116396159-A Synthesis method of 2,2' -biphenyl dicarboxylic acid compound 湖南大学 2023-07-07 CN disclosed
CN-115613061-A Modification method of tryptophan and indole derivatives under electrooxidation condition 浙江工业大学 2023-01-17 CN disclosed
US-20230002383-A1 NOVEL FUNCTIONALIZED LACTAMS AS MODULATORS OF THE 5-HYDROXYTRYPTAMINE RECEPTOR 7 AND THEIR METHOD OF USE PRAEVENTIX, LLC 2023-01-05 US disclosed
CN-115141138-A Method for constructing fluoride by decarboxylation of alkyl carboxylic acid 中山大学 2022-10-04 CN disclosed
EP-4058455-A1 NOVEL FUNCTIONALIZED LACTAMS AS MODULATORS OF THE 5-HYDROXYTRYPTAMINE RECEPTOR 7 AND THEIR METHOD OF USE Temple University - Of The Commonwealth System of Higher Education (US) 2022-09-21 EP disclosed
US-11059854-B2 Method for preparing steroid derivative FXR agonist CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2021-07-13 US disclosed
WO-2008048216-A2 ELECTROCATALYTIC DETECTION OF CARBON NANOTUBES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2008-04-24 WO disclosed
EP-1259473-B1 METHOD FOR PRODUCING CHLOROCARBOXYLIC ACID CHLORIDES BASF AG (DE) 2005-10-26 EP disclosed
US-6579959-B2 Process for producing isobutylene polymers KANEKA CORPORATION (JP) 2003-06-17 US disclosed
US-20020193549-A1 Process for producing isobutylene polymers KANEKA CORPORATION 2002-12-19 US disclosed
EP-1259473-A1 METHOD FOR PRODUCING CHLOROCARBOXYLIC ACID CHLORIDES BASF AKTIENGESELLSCHAFT (DE) 2002-11-27 EP disclosed
US-20020037530-A1 Detection of binding reactions using labels detected by mediated catalytic electrochemistry STEWART DAVID H (US) 2002-03-28 US disclosed
WO-2001064614-A1 METHOD FOR PRODUCING CHLOROCARBOXYLIC ACID CHLORIDES BASF AKTIENGESELLSCHAFT (DE) 2001-09-07 WO disclosed
JP-2000169421-A PRODUCTION OF ADIPOALDEHYDE ACID MITSUBISHI CHEMICALS CORP 2000-06-20 JP disclosed
WO-1997001559-A1 ZINC(II) COMPLEXES AND METHODS RELATED THERETO PROCYTE CORPORATION (US) 1997-01-16 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-11059854-B2 Method for preparing steroid derivative FXR agonist FXR1, NR1H4, FXR2 KDM4E 4039/4885LMNA 3557/4885CCR1 1008/4885
US-20230002383-A1 NOVEL FUNCTIONALIZED LACTAMS AS MODULATORS OF THE 5-HYDROXYTRYPTAMINE RECEPTOR 7 AND THEIR METHOD OF USE HTR7, HTR1A, HTR2C KDM4E 4171/4885LMNA 4612/4885CCR1 1373/4885

“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.