SCHEMBL1128540

SCHEMBL1128540

O=C(CN1C=Cc2ccccc2C1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.50
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 4/20 0.41
HPGD P15428 2/20 0.40
KMT2A Q03164 3/20 0.39
MAPK1 P28482 2/20 0.39
MEN1 O00255 2/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
CES1 P23141 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39
HTR7 P34969 1/20 0.39
HRH1 P35367 1/20 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
SCHEMBL9137129 0.86 HDAC3 (0.53) HDAC3RAB9ASMN1; SMN2KDM4EMAPT
Bromide SCHEMBL19031267 0.80 HDAC3 (0.51) HDAC3SMN1; SMN2KDM4EMAPTHPGD
SCHEMBL30306313 0.78 HDAC3 (0.55) HDAC3KDM4EALDH1A1KMT2AMEN1
SCHEMBL28139257 0.78 HDAC3 (0.48) HDAC3RAB9AALDH1A1HTR1ADRD2
Hydrazine SCHEMBL28954453 0.75 HDAC3 (0.53) HDAC3KDM4EALDH1A1KMT2AMEN1
SCHEMBL25435570 0.75 HDAC3 (0.51) HDAC3
SCHEMBL9474777 0.75 HDAC3 (0.46) HDAC3KDM4EALDH1A1TDP1GAA
Hydrochloric Acid SCHEMBL11699382 0.74 HDAC3 (0.46) HDAC3RAB9ASMN1; SMN2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL11658898 0.74 HDAC3 (0.52) HDAC3KDM4EMAPTALDH1A1HPGD
Bromide SCHEMBL9772108 0.74 HDAC3 (0.45) HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106939074-B Treatment liquid containing ionic compound 日立化成株式会社 2020-06-16 CN disclosed
US-20200143954-A1 ORGANIC ELECTRONIC MATERIAL, POLYMERIZATION INITIATOR AND THERMAL POLYMERIZATION INITIATOR, INK COMPOSITION, ORGANIC THIN FILM AND PRODUCTION METHOD FOR SAME, ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, LIGHTING DEVICE, DISPLAY ELEMENT, AND DISPLAY DEVICE HITACHI CHEMICAL COMPANY, LTD. (JP) 2020-05-07 US disclosed
US-10566105-B2 Method for producing charge transport film HITACHI CHEMICAL COMPANY, LTD. (JP) 2020-02-18 US disclosed
US-9583714-B2 Material for organic electronics, organic electronic element, organic electroluminescent element, display element using organic electroluminescent element, illuminating device, and display device HITACHI CHEMICAL COMPANY, LTD. (JP) 2017-02-28 US disclosed
US-20160020395-A1 TREATMENT LIQUID CONTAINING IONIC COMPOUND, ORGANIC ELECTRONIC ELEMENT, AND METHOD FOR PRODUCING ORGANIC ELECTRONIC ELEMENT RESONAC CORPORATION (JP) 2016-01-21 US disclosed
EP-2966942-A1 IONIC-COMPOUND-CONTAINING TREATMENT SOLUTION, ORGANIC ELECTRONIC ELEMENT, AND METHOD FOR MANUFACTURING ORGANIC ELECTRONIC ELEMENT Hitachi Chemical Co., Ltd. (JP) 2016-01-13 EP disclosed
EP-2562839-A1 ORGANIC ELECTRONIC MATERIAL, POLYMERIZATION INITIATOR AND THERMAL POLYMERIZATION INITIATOR, INK COMPOSITION, ORGANIC THIN FILM AND PRODUCTION METHOD FOR SAME, ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, LIGHTING DEVICE, DISPLAY ELEMENT, AND DISPLAY DEVICE Hitachi Chemical Company, Ltd. (JP) 2013-02-27 EP disclosed
EP-2284165-B1 SULFONIUM SALT, PHOTOACID GENERATOR, PHOTO-CURABLE COMPOSITION, AND CURED PRODUCT OF THE PHOTO-CURABLE COMPOSITION SAN APRO LTD (JP) 2013-02-20 EP disclosed
US-20130037753-A1 ORGANIC ELECTRONIC MATERIAL, POLYMERIZATION INITIATOR AND THERMAL POLYMERIZATION INITIATOR, INK COMPOSITION, ORGANIC THIN FILM AND PRODUCTION METHOD FOR SAME, ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, LIGHTING DEVICE, DISPLAY ELEMENT, AND DISPLAY DEVICE HITACHI CHEMICAL COMPANY, LTD (JP) 2013-02-14 US disclosed
US-8278030-B2 Sulfonium salt, photoacid generator, and photocurable composition and cured body thereof SAN-APRO LIMITED (JP) 2012-10-02 US disclosed
EP-2485290-A1 MATERIAL FOR ORGANIC ELECTRONICS, ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY ELEMENT USING ORGANIC ELECTROLUMINESCENT ELEMENT, ILLUMINATING DEVICE, AND DISPLAY DEVICE Hitachi Chemical Company, Ltd. (JP) 2012-08-08 EP disclosed
US-20120181530-A1 MATERIAL FOR ORGANIC ELECTRONICS, ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY ELEMENT USING ORGANIC ELECTROLUMINESCENT ELEMENT, ILLUMINATING DEVICE, AND DISPLAY DEVICE RESONAC CORPORATION (JP) 2012-07-19 US disclosed
US-20110039205-A1 SULFONIUM SALT, PHOTOACID GENERATOR, AND PHOTOCURABLE COMPOSITION AND CURED BODY THEREOF SAN-APRO LIMITED (JP) 2011-02-17 US disclosed
EP-2284165-A1 PHOSPHONIUM SALT, PHOTOACID GENERATOR, PHOTO-CURABLE COMPOSITION, AND CURED PRODUCT OF THE PHOTO-CURABLE COMPOSITION San-Apro Limited (JP) 2011-02-16 EP disclosed
EP-2125741-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR Janssen Pharmaceutica, N.V. (BE) 2009-12-02 EP disclosed
WO-2008109336-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-12 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-20130037753-A1 ORGANIC ELECTRONIC MATERIAL, POLYMERIZATION INITIATOR AND THERMAL POLYMERIZATION INITIATOR, INK COMPOSITION, ORGANIC THIN FILM AND PRODUCTION METHOD FOR SAME, ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, LIGHTING DEVICE, DISPLAY ELEMENT, AND DISPLAY DEVICE L1CAM, CD99, EPB41L2 HDAC3 4869/4885RAB9A 636/4885SMN1; SMN2 2769/4885
US-20110039205-A1 SULFONIUM SALT, PHOTOACID GENERATOR, AND PHOTOCURABLE COMPOSITION AND CURED BODY THEREOF ARSA, ASIC1, TST HDAC3 1230/4885RAB9A 3295/4885SMN1; SMN2 1788/4885

“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.