SCHEMBL516760

SCHEMBL516760

Cc1ccc(N(c2ccccc2)c2ccc(Br)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
CYP2C19 P33261 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 3/20 0.42
ACHE P22303 2/20 0.42
LMNA P02545 1/20 0.42
ALOX12 P18054 1/20 0.42
MAPK1 P28482 1/20 0.41
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
APP P05067 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 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
SCHEMBL8862567 1.00 ALDH1A1 (0.56) ALDH1A1CYP2C19L3MBTL1TDP1CYP1A2
SCHEMBL19414604 1.00 ALDH1A1 (0.56) ALDH1A1CYP2C19L3MBTL1TDP1CYP1A2
SCHEMBL20068418 0.94 ALDH1A1 (0.52) ALDH1A1CYP2C19L3MBTL1TDP1CYP1A2
SCHEMBL6744563 0.94 ALDH1A1 (0.52) ALDH1A1CYP2C19L3MBTL1TDP1CYP1A2
SCHEMBL13259842 0.94 ALDH1A1 (0.52) ALDH1A1CYP2C19L3MBTL1TDP1CYP1A2
SCHEMBL23714878 0.94 ALDH1A1 (0.52) ALDH1A1CYP2C19L3MBTL1TDP1CYP1A2
SCHEMBL2858875 0.91 ALDH1A1 (0.68) ALDH1A1CYP2C19L3MBTL1TDP1CYP1A2
SCHEMBL3853531 0.91 ALDH1A1 (0.68) ALDH1A1CYP2C19L3MBTL1TDP1CYP1A2
SCHEMBL23714860 0.91 ALDH1A1 (0.68) ALDH1A1CYP2C19L3MBTL1TDP1CYP1A2
SCHEMBL13990452 0.91 ALDH1A1 (0.68) ALDH1A1CYP2C19L3MBTL1TDP1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3325463-B1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN ELECTRO-OPTICAL OR OPTO-ELECTRONIC DEVICES POWER OLEDS LTD (GB) 2019-06-05 EP disclosed
WO-2017013420-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN ELECTRO-OPTICAL OR OPTO-ELECTRONIC DEVICES POWER OLEDS LIMITED (GB) 2017-01-26 WO disclosed
CN-106336408-A Naphthothioxanthene derivative and preparation method and application thereof 长春海谱润斯科技有限公司 2017-01-18 CN disclosed
US-20140328764-A1 Biocompatible Nanoparticles with Aggregation Induced Emission Characteristics as Fluorescent Bioprobes and Methods of Using the Same for In Vitro and In Vivo Imaging NATIONAL UNIVERSITY OF SINGAPORE (SG) 2014-11-06 US disclosed
US-20140328764-A1 Biocompatible Nanoparticles with Aggregation Induced Emission Characteristics as Fluorescent Bioprobes and Methods of Using the Same for In Vitro and In Vivo Imaging NATIONAL UNIVERSITY OF SINGAPORE (SG) 2014-11-06 US disclosed
WO-2013029340-A9 BIOCOMPATIBLE NANOPARTICLES WITH AGGREGATION INDUCED EMISSION CHARACTERISTICS AS FLUORESCENT BIOPROBES AND METHODS OF USING THE SAME FOR IN VITRO AND IN VIVO IMAGING THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2013-07-11 WO disclosed
WO-2013029340-A1 BIOCOMPATIBLE NANOPARTICLES WITH AGGREGATION INDUCED EMISSION CHARACTERISTICS AS FLUORESCENT BIOPROBES AND METHODS OF USING THE SAME FOR IN VITRO AND IN VIVO IMAGING THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2013-03-07 WO disclosed
US-20120024382-A1 NOVEL COMPOUNDS, DERIVATIVES THEREOF AND THEIR USE IN HETEROJUNCTION DEVICES THE UNIVERSITY OF ULM (DE) 2012-02-02 US disclosed
EP-2379476-A1 NOVEL COMPOUNDS, DERIVATIVES THEREOF AND THEIR USE IN HETEROJUNCTION DEVICES The University of Melbourne (AU) 2011-10-26 EP disclosed
WO-2010060160-A1 NOVEL COMPOUNDS, DERIVATIVES THEREOF AND THEIR USE IN HETEROJUNCTION DEVICES THE UNIVERSITY OF MELBOURNE (AU) 2010-06-03 WO disclosed
WO-2010060159-A1 NOVEL BLOCK COPOLYMERS, METHODS OF PREPARATION AND THEIR USE IN HETEROJUNCTION DEVICES THE UNIVERSITY OF MELBOURNE (AU) 2010-06-03 WO disclosed
US-5830972-A PHOTOCONDUCTOR SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-11-03 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-20120024382-A1 NOVEL COMPOUNDS, DERIVATIVES THEREOF AND THEIR USE IN HETEROJUNCTION DEVICES DDT, DCX, PIN1 ALDH1A1 1940/4885CYP2C19 373/4885L3MBTL1 4517/4885
US-20140328764-A1 Biocompatible Nanoparticles with Aggregation Induced Emission Characteristics as Fluorescent Bioprobes and Methods of Using the Same for In Vitro and In Vivo Imaging LGALS3, LGALS1, CD63 ALDH1A1 731/4885CYP2C19 4676/4885L3MBTL1 352/4885

“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.