SCHEMBL2442045

SCHEMBL2442045

Brc1oc2ccccc2c1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MAPT P10636 3/20 0.46
MAOA P21397 3/20 0.46
HSD17B10 Q99714 2/20 0.46
CYP3A4 P08684 2/20 0.46
GLA P06280 1/20 0.46
PGAM1 P18669 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
TNKS O95271 2/20 0.39
AHR P35869 4/20 0.39
MEN1 O00255 2/20 0.39

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
SCHEMBL22960257 0.80 CHRM2 (0.53) KDM4EALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL2675092 0.76 ALDH1A1 (0.43) KDM4EALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL22247986 0.76 AHR (0.46) KDM4EALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL6002998 0.76 ALDH1A1 (0.48) KDM4EALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL31450995 0.76 AHR (0.45) KDM4EALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL11389406 0.76 KDM4E (0.43) KDM4EALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL22273765 0.76 KDM4E (0.47) KDM4EALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL4449379 0.76 KDM4E (0.46) KDM4EALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL31318453 0.76 CYP2C19 (0.46) KDM4EALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL15442574 0.76 KDM4E (0.43) KDM4EALDH1A1HPGDSMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118852195-A Organic electroluminescent compound and application thereof 宁波卢米蓝新材料有限公司 2024-10-29 CN disclosed
CN-118852189-A Organic electroluminescent compound and application thereof 宁波卢米蓝新材料有限公司 2024-10-29 CN disclosed
CN-118852194-A Organic electroluminescent compound and application thereof 宁波卢米蓝新材料有限公司 2024-10-29 CN disclosed
CN-118852210-A Organic electroluminescent compound and application thereof 宁波卢米蓝新材料有限公司 2024-10-29 CN disclosed
CN-118852211-A Organic electroluminescent compound and application thereof 宁波卢米蓝新材料有限公司 2024-10-29 CN disclosed
EP-4132939-B1 POLYCYCLIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2024-01-31 EP disclosed
CN-114685454-B Organic compounds, mixtures, compositions and organic electronic devices 广州华睿光电材料有限公司 2024-01-12 CN disclosed
US-20230389408-A1 METAL COMPLEX AND USE THEREOF SICHUAN AG-RAY NEW MATERIALS CO., LTD (CN) 2023-11-30 US disclosed
US-20230389408-A1 METAL COMPLEX AND USE THEREOF SICHUAN AG-RAY NEW MATERIALS CO., LTD (CN) 2023-11-30 US disclosed
CN-116217605-B Polycyclic compound and light-emitting device thereof 维思普新材料(苏州)有限公司 2023-11-10 CN disclosed
WO-2000007997-A1 IMIDAZOLES AND RELATED COMPOUNDS AS α1A AGONISTS ABBOTT LABORATORIES (US) 2000-02-17 WO disclosed
EP-0393838-B1 Dopamine receptor ligands and imaging agents UNIV PENNSYLVANIA (US) 1997-06-25 EP disclosed
EP-0773927-A2 BENZOYLGUANIDINE DERIVATIVES AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-21 EP disclosed
WO-1996004241-A2 BENZOYLGUANIDINE DERIVATIVES AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 WO disclosed
US-5426189-A Dopamine receptor ligands and imaging agents THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1995-06-20 US disclosed
US-5334728-A Dopamine receptor ligands and imaging agents THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1994-08-02 US disclosed
US-5186921-A 3-methoxy-n(1-ethyl-2-pyrrolidinyl)methyl)naphthyl-2-carboxy amide compounds for imaging human brains; good retention stability TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1993-02-16 US disclosed
US-5122361-A 2-Pyrrolidinylmethylcarboxamido-2,3-dihydrobenzofuran type compounds TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1992-06-16 US disclosed
EP-0444889-A1 Novel synthesis of carbapenem intermediates MERCK & CO. INC. (US) 1991-09-04 EP disclosed
EP-0393838-A1 Dopamine receptor ligands and imaging agents THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1990-10-24 EP 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 (1 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-20230389408-A1 METAL COMPLEX AND USE THEREOF CYBA, AP1M1, AP3M1 KDM4E 4142/4885ALDH1A1 779/4885HPGD 1699/4885

“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.