SCHEMBL498829

SCHEMBL498829

Brc1c(Br)c2cccnc2c2ncccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 7/20 0.58
L3MBTL1 Q9Y468 4/20 0.58
NPC1 O15118 1/20 0.58
KDM4E B2RXH2 8/20 0.50
MAPT P10636 6/20 0.50
HTT P42858 5/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
TP53 P04637 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
TDP1 Q9NUW8 4/20 0.50
ALDH1A1 P00352 3/20 0.50
USP2 O75604 2/20 0.50
APAF1 O14727 1/20 0.50
TDP2 O95551 1/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
NSD2 O96028 1/20 0.50

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
SCHEMBL28708620 0.84 CCR1 (0.48) HSP90AA1L3MBTL1NPC1KDM4EMAPT
SCHEMBL29419978 0.84 CCR1 (0.48) HSP90AA1L3MBTL1NPC1KDM4EMAPT
SCHEMBL13264747 0.84 HSP90AA1 (0.48) HSP90AA1L3MBTL1NPC1KDM4EMAPT
SCHEMBL28715759 0.84 HSP90AA1 (0.48) HSP90AA1L3MBTL1NPC1KDM4EMAPT
SCHEMBL29419991 0.84 HSP90AA1 (0.48) HSP90AA1L3MBTL1NPC1KDM4EMAPT
SCHEMBL4009364 0.80 HSP90AA1 (0.67) HSP90AA1L3MBTL1NPC1KDM4EMAPT
SCHEMBL29849953 0.80 HSP90AA1 (0.67) HSP90AA1L3MBTL1NPC1KDM4EMAPT
SCHEMBL13313358 0.78 KDM4E (0.59) HSP90AA1L3MBTL1NPC1KDM4EMAPT
SCHEMBL18174540 0.78 HSP90AA1 (0.64) HSP90AA1L3MBTL1NPC1KDM4EMAPT
SCHEMBL4993117 0.78 HSP90AA1 (0.64) HSP90AA1L3MBTL1NPC1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167144-A1 PREPARATION AND ITS APPLICATION OF A CYANIDE-BRIDGED METAL ORGANIC COMPOUND WITH INTRAMOLECULAR MAGNETIC TRANSFORMATION Hubei Jingmen Industrial Technology Research Institute Co., Ltd. (CN) 2023-06-01 US claimed
CN-114249685-A Ortho-diaryl substituted phenanthrene or phenanthroline carrier transport material and preparation method and application thereof 华南理工大学 2022-03-29 CN claimed
CN-110003106-B Preparation method of acridine 郑州原理生物科技有限公司 2020-11-06 CN claimed
CN-111718381-A Osmium metal organic compound containing polypyridine ligand and preparation method and application thereof 荆楚理工学院 2020-09-29 CN claimed
CN-111518145-A Cyanide-bridged metal organic compound with intramolecular magnetic transformation, and preparation method and application thereof 荆楚理工学院 2020-08-11 CN claimed
US-20260136831-A1 Polycyclic Compound, Light-Emitting Device, Electronic Device and Electronic Apparatus SAMSUNG DISPLAY CO., LTD. (KR) 2026-05-14 US disclosed
CN-122010982-A Polycyclic compound, light-emitting device, electronic device, and electronic apparatus 三星显示有限公司 2026-05-12 CN disclosed
CN-117210219-A OLED luminous composition and electroluminescent device comprising same 宇瑞(上海)化学有限公司 2023-12-12 CN disclosed
US-20230203072-A1 AIR-STABLE IMIDO ALKYLIDENE COMPLEXES AND USE THEREOF IN OLEFIN METATHESIS REACTIONS VERBIO SE (DE) 2023-06-29 US disclosed
CN-111518145-B Cyano-bridged metal organic compound with intramolecular magnetic transformation and preparation method and application thereof 荆楚理工学院 2023-06-20 CN disclosed
US-20230167144-A1 PREPARATION AND ITS APPLICATION OF A CYANIDE-BRIDGED METAL ORGANIC COMPOUND WITH INTRAMOLECULAR MAGNETIC TRANSFORMATION Hubei Jingmen Industrial Technology Research Institute Co., Ltd. (CN) 2023-06-01 US disclosed
US-20230159334-A1 NITROGEN-CONTAINING CARBON MATERIAL AND METHOD FOR PRODUCING SAME NICHIA CORPORATION (JP) 2023-05-25 US disclosed
US-20100137596-A1 Photochromic diarylethene containing coordination compounds and the production thereof VERSITECH LIMITED (CN) 2010-06-03 US disclosed
US-20100137596-A1 Photochromic diarylethene containing coordination compounds and the production thereof VERSITECH LIMITED (CN) 2010-06-03 US disclosed
EP-1648864-A4 PHOTOCHROMIC DIARYLETHENE-CONTAINING COORDINATION COMPOUNDS AND THE PRODUCTION THEREOF UNIV HONG KONG (CN) 2009-08-19 EP disclosed
US-7355775-B2 Photochromic diarylethene-containing coordination compounds and the production thereof THE UNIVERSITY OF HONG KONG (CN) 2008-04-08 US disclosed
US-20070057240-A1 extends excitation wavelength for the photocyclization of the diarylethene moiety from lambda <== 340 nm to lower energy, so that the photochromic forward reaction can proceed with visible light excitation by utilization of the low-energy absorptions characteristic UNIVERSITY OF HONG KONG, THE (CN) 2007-03-15 US disclosed
EP-1648864-A1 PHOTOCHROMIC DIARYLETHENE-CONTAINING COORDINATION COMPOUNDS AND THE PRODUCTION THEREOF The University of Hong Kong (CN) 2006-04-26 EP disclosed
US-20050033072-A1 Photochromic diarylethene-containing coordination compounds and the production thereof UNIVERSITY OF HONG KONG, THE (CN) 2005-02-10 US disclosed
WO-2005003126-A1 PHOTOCHROMIC DIARYLETHENE-CONTAINING COORDINATION COMPOUNDS AND THE PRODUCTION THEREOF THE UNIVERSITY OF HONG KONG (CN) 2005-01-13 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 (6 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-20230203072-A1 AIR-STABLE IMIDO ALKYLIDENE COMPLEXES AND USE THEREOF IN OLEFIN METATHESIS REACTIONS SOD1, ZRANB2, ZNF277 HSP90AA1 4328/4885L3MBTL1 1999/4885NPC1 2068/4885
US-20070057240-A1 extends excitation wavelength for the photocyclization of the diarylethene moiety from lambda <== 340 nm to lower energy, so that the photochromic forward reaction can proceed with visible light excitation by utilization of the low-energy absorptions characteristic CYBA, POLL, CRY1 HSP90AA1 4452/4885L3MBTL1 3290/4885NPC1 4114/4885
US-20050033072-A1 Photochromic diarylethene-containing coordination compounds and the production thereof CRY1, CRY2, DDT HSP90AA1 4395/4885L3MBTL1 3603/4885NPC1 3650/4885
US-20230159334-A1 NITROGEN-CONTAINING CARBON MATERIAL AND METHOD FOR PRODUCING SAME NPM1, NCLN, C5 HSP90AA1 4419/4885L3MBTL1 2909/4885NPC1 1245/4885
US-20100137596-A1 Photochromic diarylethene containing coordination compounds and the production thereof CRY1, CRY2, DDT HSP90AA1 4422/4885L3MBTL1 3326/4885NPC1 3894/4885
US-20260136831-A1 Polycyclic Compound, Light-Emitting Device, Electronic Device and Electronic Apparatus CDH1, KCNH3, KCNH2 HSP90AA1 4538/4885L3MBTL1 3207/4885NPC1 3352/4885

“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.