SCHEMBL1389495

SCHEMBL1389495

Clc1cc2ccccc2cc1Br

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.48
CYP2A6 P11509 6/20 0.44
AHR P35869 2/20 0.42
CYP1A2 P05177 2/20 0.39
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
NCEH1 Q6PIU2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALOX12 P18054 1/20 0.35
NQO2 P16083 1/20 0.35
HIF1A Q16665 1/20 0.35
CYP1B1 Q16678 1/20 0.35

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
SCHEMBL31566431 1.00 CSNK2A1 (0.48) CSNK2A1CYP2A6AHRCYP1A2LMNA
SCHEMBL24028832 0.83 ALDH1A1 (0.58) CSNK2A1CYP2A6AHRCYP1A2LMNA
SCHEMBL9095175 0.80 CYP2A6 (0.55) CYP2A6CYP1A2LMNATSHRMAPT
SCHEMBL7905169 0.80 CYP2A6 (0.55) CYP2A6AHRCYP1A2LMNATSHR
SCHEMBL29508953 0.80 CYP2A6 (0.55) CYP2A6AHRCYP1A2LMNATSHR
SCHEMBL29374851 0.80 CYP2A6 (0.55) CYP2A6CYP1A2LMNATSHRMAPT
SCHEMBL24316330 0.75 CYP2A6 (0.41) CYP2A6CYP1A2LMNATSHRALDH1A1
SCHEMBL790036 0.75 CSNK2A1 (0.41) CSNK2A1AHR
SCHEMBL3465676 0.75 CYP2A6 (0.50) CYP2A6CYP1A2LMNATSHRMAPT
SCHEMBL5008807 0.75 CYP2A6 (0.50) CYP2A6CYP1A2LMNATSHRMAPT

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114956948-A Industrial production method of 2-bromo-3-halogenated naphthalene 西安瑞联新材料股份有限公司 2022-08-30 CN claimed
EP-4200306-B1 BENZO[B][1,4]BENZAZABORININE FOR OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO LTD (KR) 2025-07-09 EP disclosed
US-20240383925-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO LTD (KR) 2024-11-21 US disclosed
CN-118420625-A Compound containing triazine structure and organic electroluminescent device 南京高光半导体材料有限公司 2024-08-02 CN disclosed
EP-4402145-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES Samsung Display Co., Ltd. (KR) 2024-07-24 EP disclosed
CN-113891885-B Compound and organic light emitting device comprising the same 株式会社LG化学 2024-05-10 CN disclosed
CN-117980311-A Organic molecules for optoelectronic devices 三星显示有限公司 2024-05-03 CN disclosed
US-20230422614-A1 BENZO[B][1,4]BENZAZABORININE FOR OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2023-12-28 US disclosed
CN-112125873-B Compound, hole transport material, organic electroluminescent device and display device 烟台显华化工科技有限公司 2023-08-25 CN disclosed
EP-4200306-A1 BENZO[B][1,4]BENZAZABORININE FOR OPTOELECTRONIC DEVICES Samsung Display Co., Ltd. (KR) 2023-06-28 EP disclosed
US-8368062-B2 Nitrogen-containing heterocyclic compound and organic electronic device using the same LG CHEM, LTD. (KR) 2013-02-05 US disclosed
US-20120007069-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2012-01-12 US disclosed
US-20120007069-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2012-01-12 US disclosed
US-20120007069-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2012-01-12 US disclosed
CN-102119158-A Novel nitrogen-containing heterocyclic compound and organic electronic device using the same LG CHEMICAL LTD 2011-07-06 CN disclosed
US-20110127513-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2011-06-02 US disclosed
US-20110127513-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2011-06-02 US disclosed
US-20110127513-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2011-06-02 US disclosed
EP-2311826-A2 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG Chem, Ltd. (KR) 2011-04-20 EP disclosed
US-4210610-A CHLOROARYLHYDROXY SUBSTITUTED ACETYLENES GULF RESEARCH AND DEVELOPMENT COMPANY (US) 1980-07-01 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 (4 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-20120007069-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME VDAC2, VDAC1, VDAC3 CSNK2A1 4502/4885CYP2A6 3417/4885AHR 1367/4885
US-20230422614-A1 BENZO[B][1,4]BENZAZABORININE FOR OPTOELECTRONIC DEVICES OR10J3, BCL3, AOC3 CSNK2A1 1983/4885CYP2A6 788/4885AHR 353/4885
US-20110127513-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME VDAC2, VDAC1, VDAC3 CSNK2A1 4502/4885CYP2A6 3417/4885AHR 1367/4885
US-20240383925-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES OR10J3, ORC3, C1R CSNK2A1 2690/4885CYP2A6 1727/4885AHR 1207/4885

“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.