SCHEMBL4873588

SCHEMBL4873588

Cc1ccc(Nc2ccc(Br)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.68
HPGD P15428 1/20 0.61
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
RAPGEF4 Q8WZA2 2/20 0.59
HTT P42858 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C19 P33261 1/20 0.59
GAA P10253 2/20 0.50
G6PD P11413 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
APP P05067 2/20 0.48
MAPT P10636 4/20 0.46
KDM4E B2RXH2 1/20 0.46
GALR3 O60755 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.44
TDP1 Q9NUW8 2/20 0.43

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
SCHEMBL5860401 0.93 ALDH1A1 (0.59) ALDH1A1HPGDMEN1KMT2ARAPGEF4
SCHEMBL17536115 0.93 ALDH1A1 (0.59) ALDH1A1HPGDMEN1KMT2ARAPGEF4
SCHEMBL13148721 0.86 CYP2A6 (0.57) ALDH1A1MEN1KMT2ARAPGEF4HTT
SCHEMBL16526973 0.86 CYP2A6 (0.57) ALDH1A1MEN1KMT2ARAPGEF4HTT
SCHEMBL409605 0.86 CYP2A6 (0.57) ALDH1A1MEN1KMT2ARAPGEF4HTT
SCHEMBL108881 0.86 HPGD (0.78) ALDH1A1HPGDMEN1KMT2ARAPGEF4
SCHEMBL50079 0.86 HPGD (0.78) ALDH1A1HPGDMEN1KMT2ARAPGEF4
SCHEMBL9516537 0.86 HPGD (0.78) ALDH1A1HPGDMEN1KMT2ARAPGEF4
Water SCHEMBL8602751 0.83 HPGD (0.74) ALDH1A1HPGDMEN1KMT2ARAPGEF4
SCHEMBL808 0.83

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-117917401-A Triphenylamine derivative photosensitizer for inducing tumor macrophage polarization to M1 phenotype and preparation method and application thereof 天津工业大学 2024-04-23 CN disclosed
CN-114875434-B Electrochemical method for amination of imine compounds 齐鲁工业大学 2023-08-11 CN disclosed
CN-114875434-A Electrochemical method for amination of imine compound 齐鲁工业大学 2022-08-09 CN disclosed
CN-108043441-B Application of carbon-supported ruthenium nano material in catalyzing reaction of aromatic amine and aromatic methanol 苏州大学 2021-09-28 CN disclosed
US-20190055280-A1 TRANSITION METAL-BASED SELECTIVE FUNCTIONALIZATION OF CHALCOGENS IN BIOMOLECULES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-02-21 US disclosed
CN-104684886-B Compounds for Electronic Devices 默克专利有限公司 2017-07-18 CN disclosed
US-20170183439-A1 COPOLYMER, ORGANIC LIGHT-EMITTING DEVICE MATERIAL INCLUDING THE SAME, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE MATERIAL SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-06-29 US disclosed
CN-104684886-A Compounds for Electronic Devices MERCK PATENT GMBH 2015-06-03 CN disclosed
CN-101024633-B Tricyclic arylamine monomer and polymers and devices thereof DOW GLOBAL TECHNOLOGIES INC 2012-11-07 CN disclosed
CN-1942503-B Electroluminescent polymer and organic electroluminescent device SONY CHEM & INF DEVICE CORP 2011-09-07 CN disclosed
CN-100516118-C Tricyclic arylamine monomers, polymers thereof and devices DOW GLOBAL TECHNOLOGIES INC (US) 2009-07-22 CN disclosed
US-20080039581-A1 Triarylamine Compounds, Compositions and Devices MERCK PATENT GMBH (DE) 2008-02-14 US disclosed
US-20080039581-A1 Triarylamine Compounds, Compositions and Devices MERCK PATENT GMBH (DE) 2008-02-14 US disclosed
US-20080039581-A1 Triarylamine Compounds, Compositions and Devices MERCK PATENT GMBH (DE) 2008-02-14 US disclosed
CN-101024633-A Tricyclic arylamine monomer and polymers and devices thereof DOW GLOBAL TECHNOLOGIES INC (US) 2007-08-29 CN disclosed
EP-1781592-A1 TRIARYLAMINE COMPOUNDS, COMPOSITIONS AND DEVICES Merck Patent GmbH (DE) 2007-05-09 EP disclosed
CN-1942503-A Electroluminescent polymer and organic electroluminescent device SONY CHEM & INF DEVICE CORP (JP) 2007-04-04 CN disclosed
WO-2006010555-A1 TRIARYLAMINE COMPOUNDS, COMPOSITIONS AND DEVICES MERCK PATENT GMBH (DE) 2006-02-02 WO disclosed
CN-1729229-A Tricyclic arylamine monomers, polymers thereof and devices DOW GLOBAL TECHNOLOGIES INC (US) 2006-02-01 CN 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-20190055280-A1 TRANSITION METAL-BASED SELECTIVE FUNCTIONALIZATION OF CHALCOGENS IN BIOMOLECULES SCLY, SELENOI, PTMS ALDH1A1 4278/4885HPGD 631/4885MEN1 1497/4885
US-20080039581-A1 Triarylamine Compounds, Compositions and Devices RER1, F3, PRMT1 ALDH1A1 980/4885HPGD 3158/4885MEN1 1953/4885

“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.