SCHEMBL1127776

SCHEMBL1127776

C1=CN(Cc2ccccc2)Cc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.46
SIGMAR1 Q99720 4/20 0.39
MC4R P32245 1/20 0.38
POLB P06746 2/20 0.37
LMNA P02545 1/20 0.37
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
MGLL Q99685 1/20 0.36
DRD3 P35462 1/20 0.36
KCNH2 Q12809 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
APAF1 O14727 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
F2 P00734 1/20 0.34
PLG P00747 1/20 0.34
ELANE P08246 1/20 0.34
CTSG P08311 1/20 0.34

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
Hydrochloric Acid SCHEMBL8870700 0.98 HDAC3 (0.45) HDAC3SIGMAR1MC4RPOLBLMNA
Bromide SCHEMBL3601831 0.98 HDAC3 (0.45) HDAC3SIGMAR1MC4RPOLBLMNA
SCHEMBL11536843 0.83 SIGMAR1 (0.43) HDAC3SIGMAR1MC4RPOLBLMNA
SCHEMBL583005 0.81 SIGMAR1 (0.37) HDAC3SIGMAR1LMNADRD3MEN1
SCHEMBL7210868 0.81 HDAC3 (0.38) HDAC3
SCHEMBL15610683 0.80 HDAC3 (0.42) HDAC3SIGMAR1LMNADRD3KCNH2
Hydrochloric Acid SCHEMBL2111158 0.80 HDAC3 (0.47) HDAC3LMNAMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL11430287 0.79 HTR2A (0.42) HDAC3LMNAMGLLKCNH2ALDH1A1
SCHEMBL29767826 0.79 HDAC3 (0.52) HDAC3LMNADRD3KCNH2MEN1
SCHEMBL25435570 0.78 HDAC3 (0.51) 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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114805204-B Method for preparing 4-iodoisoquinoline-1 (2H) -ketone compound 云南师范大学 2023-09-15 CN claimed
CN-105198810-B The compound of isobioquin group of 2 benzyl 1 and its preparation method and use 西安交通大学 2018-01-05 CN claimed
CN-118373828-A Heteropolycyclic compound and preparation method thereof 上海大学 2024-07-23 CN disclosed
CN-114805204-B Method for preparing 4-iodoisoquinoline-1 (2H) -ketone compound 云南师范大学 2023-09-15 CN disclosed
CN-114805204-A Method for preparing 4-iodoisoquinoline-1 (2H) -ketone compound 云南师范大学 2022-07-29 CN disclosed
US-20200259085-A1 TREATMENT LIQUID CONTAINING IONIC COMPOUND, ORGANIC ELECTRONIC ELEMENT, AND METHOD FOR PRODUCING ORGANIC ELECTRONIC ELEMENT HITACHI CHEMICAL COMPANY, LTD. 2020-08-13 US disclosed
CN-106939074-B Treatment liquid containing ionic compound 日立化成株式会社 2020-06-16 CN disclosed
US-10665786-B2 Treatment liquid containing ionic compound, organic electronic element, and method for producing organic electronic element HITACHI CHEMICAL COMPANY, LTD. (JP) 2020-05-26 US 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
CN-110049989-A Light produces lewis acid agent 株式会社日本触媒 2019-07-23 CN 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
CN-102859740-A Organic electronic material, polymerization initiator and thermal polymerization initiator, ink composition, organic thin film and method for producing same, organic electronic element, organic electroluminescent element, lighting device, display element, and display device HITACHI CHEMICAL CO LTD 2013-01-02 CN 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
CN-102576812-A Material for organic electronics, organic electronic element, organic electroluminescent element, and display element, lighting device, and display device using same HITACHI CHEMICAL CO LTD 2012-07-11 CN 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
US-4925943-A ADRENERGIC BLOCKING AGENTS KANMACHER ISABELLE (FR) 1990-05-15 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-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 4869/4885SIGMAR1 1253/4885MC4R 1591/4885
US-20110039205-A1 SULFONIUM SALT, PHOTOACID GENERATOR, AND PHOTOCURABLE COMPOSITION AND CURED BODY THEREOF ARSA, ASIC1, TST HDAC3 1230/4885SIGMAR1 56/4885MC4R 722/4885

“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.