SCHEMBL405513

SCHEMBL405513

O=[N+]([O-])c1cc(Br)ccc1I

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.53
S100A4 P26447 1/20 0.49
TRPV1 Q8NER1 1/20 0.49
ERN1 O75460 1/20 0.41
ABCB1 P08183 1/20 0.39
ABCC1 P33527 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP2D6 P10635 1/20 0.39
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
CYP3A4 P08684 2/20 0.37
CYP1A2 P05177 1/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37

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
SCHEMBL29430758 1.00 PARP1 (0.53) PARP1S100A4TRPV1ERN1ABCB1
SCHEMBL29760341 0.83 S100A4 (0.45) PARP1S100A4TRPV1ERN1ALDH1A1
SCHEMBL15009493 0.83 S100A4 (0.45) PARP1S100A4TRPV1ERN1ALDH1A1
SCHEMBL1561802 0.80 TSHR (0.56) S100A4TRPV1ERN1ALDH1A1PKM
SCHEMBL24508 0.78 S100A4 (0.56) S100A4TRPV1ERN1ABCB1ABCC1
SCHEMBL29395434 0.78 S100A4 (0.56) S100A4TRPV1ERN1ABCB1ABCC1
SCHEMBL204357 0.78 S100A4 (0.61) S100A4TRPV1ERN1ALDH1A1PKM
SCHEMBL1665978 0.78 PARP1 (0.56) PARP1ALDH1A1MAPK1CYP3A4LMNA
SCHEMBL30414747 0.77 TDP1 (0.61) PARP1S100A4ALDH1A1MAPK1CYP1A2
SCHEMBL3836830 0.77 TDP1 (0.61) PARP1S100A4ALDH1A1MAPK1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026103793-A1 TRICYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海翰森生物医药科技有限公司 2026-05-21 WO disclosed
US-20260103483-A1 Organometallic Complex And Light-Emitting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2026-04-16 US disclosed
US-12514109-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2025-12-30 US disclosed
EP-4652154-A1 NOVEL ALPK1 INHIBITORS Pyrotech (Beijing) Biotechnology Co., Ltd. (CN) 2025-11-26 EP disclosed
US-12421219-B2 Compound for organic electronic element, organic electronic element using same, and electronic device comprising same DUK SAN NEOLUX CO., LTD. (KR) 2025-09-23 US disclosed
CN-119684322-B Near-infrared luminescent material based on aryl-indole donor, and preparation method and application thereof 南京邮电大学 2025-05-30 CN disclosed
US-20250127038-A1 LIGHT EMITTING ELEMENT, AMINE COMPOUND FOR THE SAME, AND DISPLAY DEVICE INCLUDING THE LIGHT EMITTING ELEMENT SAMSUNG DISPLAY CO., LTD. (KR) 2025-04-17 US disclosed
CN-119775265-A Light-emitting element, amine compound for light-emitting element, and display device including light-emitting element 三星显示有限公司 2025-04-08 CN disclosed
CN-119751443-A Nitrogen-containing condensed ring compound, pharmaceutical composition containing same and application thereof 杭州禹泓医药科技有限公司 2025-04-04 CN disclosed
CN-119684322-A Near-infrared luminescent material based on aryl-indole donor, and preparation method and application thereof 南京邮电大学 2025-03-25 CN disclosed
US-20100197679-A1 COMPOUNDS GLAXO GROUP LIMITED 2010-08-05 US disclosed
US-20100197679-A1 COMPOUNDS GLAXO GROUP LIMITED 2010-08-05 US disclosed
WO-2010081894-A1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LIMITED (GB) 2010-07-22 WO disclosed
US-20090054420-A1 BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-02-26 US disclosed
US-7456196-B2 Bicyclic-substituted amines as histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2008-11-25 US disclosed
WO-2008128961-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-10-30 WO disclosed
US-7153889-B2 Bicyclic-substituted amines as histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2006-12-26 US disclosed
US-20060194798-A1 Bicyclic-substituted amines as histamine-3 receptor ligands ABBVIE INC. 2006-08-31 US disclosed
US-20040152704-A1 Bicyclic-substituted amines as histamine-3 receptor ligands ABBVIE INC. 2004-08-05 US disclosed
US-5254776-A Synthesis of bromobiphenyls MALLINCKRODT SPECIALTY CHEMICALS COMPANY (US) 1993-10-19 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 (7 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-20060194798-A1 Bicyclic-substituted amines as histamine-3 receptor ligands HRH3, HRH4, HRH2 PARP1 3345/4885S100A4 2415/4885TRPV1 258/4885
US-20100197679-A1 COMPOUNDS NRDC, MRPL21, NISCH PARP1 1313/4885S100A4 1221/4885TRPV1 1044/4885
US-12421219-B2 Compound for organic electronic element, organic electronic element using same, and electronic device comprising same OR51E2, ETV6, OR10J3 PARP1 4453/4885S100A4 1715/4885TRPV1 688/4885
US-20090054420-A1 BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS HRH3, HRH4, HRH2 PARP1 3345/4885S100A4 2415/4885TRPV1 258/4885
US-12514109-B2 Organic electroluminescent materials and devices LBR, OPRD1, NAP1L1 PARP1 237/4885S100A4 3231/4885TRPV1 1432/4885
US-20260103483-A1 Organometallic Complex And Light-Emitting Device CRY1, ZC3HAV1L, CRY2 PARP1 2017/4885S100A4 2927/4885TRPV1 4276/4885
US-20040152704-A1 Bicyclic-substituted amines as histamine-3 receptor ligands HRH3, HRH4, HRH1 PARP1 2601/4885S100A4 2055/4885TRPV1 256/4885

“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.