SCHEMBL3650552

SCHEMBL3650552

O=Nc1cc(Br)ccc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.46
TLR9 Q9NR96 1/20 0.46
S100A4 P26447 1/20 0.41
ALOX15 P16050 2/20 0.37
MAPK1 P28482 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTPRC P08575 1/20 0.35
CYP2A6 P11509 3/20 0.34
CCNB2 O95067 2/20 0.34
CDK1 P06493 2/20 0.34
CCNB1 P14635 2/20 0.34
GSK3A P49840 2/20 0.34
GSK3B P49841 2/20 0.34
CDK5 Q00535 2/20 0.34
CDK5R1 Q15078 2/20 0.34
CCNB3 Q8WWL7 2/20 0.34
AHR P35869 2/20 0.33
PTPN2 P17706 2/20 0.33

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
SCHEMBL12809174 0.76 MEN1 (0.36) HSP90AA1ALOX15ALDH1A1TDP1L3MBTL1
SCHEMBL27874098 0.76 NPC1 (0.38) HSP90AA1MAPK1ALDH1A1L3MBTL1CYP2A6
SCHEMBL2608523 0.76 ALDH1A1 (0.40) HSP90AA1TLR9S100A4MAPK1ALDH1A1
SCHEMBL27357885 0.76 ALDH1A1 (0.41) S100A4MAPK1ALDH1A1TDP1L3MBTL1
SCHEMBL12963249 0.76 KDM4E (0.45) HSP90AA1TLR9S100A4ALOX15MAPK1
SCHEMBL14089586 0.76 SIGMAR1 (0.36) HSP90AA1TLR9S100A4ALOX15MAPK1
SCHEMBL10091983 0.76 DGAT1 (0.39) HSP90AA1TLR9S100A4ALOX15ALDH1A1
SCHEMBL2185973 0.76 ALOX15 (0.50) ALOX15ALDH1A1CES2GALR3CYP1A2
SCHEMBL12809175 0.76
SCHEMBL24446512 0.73 HSP90AA1 (0.31) HSP90AA1TLR9S100A4CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210119136-A1 COMPOSITION, ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2021-04-22 US disclosed
US-20210070706-A1 COMPOSITION, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2021-03-11 US disclosed
EP-2970283-B1 SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INT (DE) 2020-11-11 EP disclosed
US-20200176685-A1 ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2020-06-04 US disclosed
US-20190312215-A1 COMPOSITION AND ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2019-10-10 US disclosed
WO-2013122402-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2013-08-22 WO disclosed
EP-2190290-A2 METHOD AND MEANS RELATING TO MULTIPLE HERBICIDE RESISTANCE IN PLANTS University Of Durham (GB) 2010-06-02 EP disclosed
US-7524873-B2 Substituted N-phenylmethyl ethanamines; N-((6-(methyloxy)-4'-(trifluoromethyl)-1,1'-biphenyl-3-yl)methyl)-1-(1-naphthalenyl)ethanamine; parathyroid hormone inhibitors; antisecretory agents; osteoporosis AMGEN INC. (US) 2009-04-28 US disclosed
WO-2009034396-A2 METHOD AND MEANS RELATING TO MULTIPLE HERBICIDE RESISTANCE IN PLANTS UNIVERSITY OF DURHAM (GB) 2009-03-19 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-20210070706-A1 COMPOSITION, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE OXER1, OR10J3, OR51E2 HSP90AA1 4041/4885TLR9 1993/4885S100A4 1949/4885
US-20210119136-A1 COMPOSITION, ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE OR10J3, OR51E2, OXER1 HSP90AA1 3536/4885TLR9 2084/4885S100A4 1431/4885

“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.