SCHEMBL3279472

SCHEMBL3279472

Clc1ccccc1Nc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.61
ALDH1A1 P00352 5/20 0.61
GAA P10253 4/20 0.61
ALOX15 P16050 3/20 0.61
HTT P42858 1/20 0.61
MEN1 O00255 4/20 0.56
MAPT P10636 4/20 0.56
KMT2A Q03164 4/20 0.56
MAPK1 P28482 4/20 0.56
KDM4E B2RXH2 3/20 0.56
NPC1 O15118 1/20 0.56
POLB P06746 1/20 0.56
RAB9A P51151 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
GLA P06280 1/20 0.56
RECQL P46063 1/20 0.56
LMNA P02545 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54

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
SCHEMBL30902223 1.00 TDP1 (0.61) TDP1ALDH1A1GAAALOX15HTT
SCHEMBL11175497 0.86 GAA (0.49) TDP1ALDH1A1GAAALOX15HTT
SCHEMBL31244434 0.84 MEN1 (0.58) TDP1ALDH1A1GAAALOX15HTT
SCHEMBL9630142 0.84 MEN1 (0.58) TDP1ALDH1A1GAAALOX15HTT
SCHEMBL1686517 0.84 TSHR (0.60) TDP1ALDH1A1GAAHTTMEN1
SCHEMBL31498989 0.84 TSHR (0.60) TDP1ALDH1A1GAAHTTMEN1
SCHEMBL4544855 0.83 TSHR (0.67) GAAMEN1MAPTKMT2AMAPK1
SCHEMBL5542524 0.82 TSHR (0.46) TDP1ALDH1A1GAAALOX15HTT
SCHEMBL10571549 0.82 ADRA2A (0.68) TDP1ALDH1A1GAAALOX15HTT
SCHEMBL11125372 0.82 MAPT (0.51) TDP1ALDH1A1GAAALOX15HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118271158-B Method for synthesizing deuterium-labeled substance containing deuterium atom structural unit 山东大学 2026-05-12 CN disclosed
CN-118271158-A Method for synthesizing deuterium-labeled substance containing deuterium atom structural unit 山东大学 2024-07-02 CN disclosed
CN-118063494-A Organic electroluminescent compound with core structure of boron-containing polycyclic aza-aromatic hydrocarbon and application thereof 吉林省元合电子材料有限公司 2024-05-24 CN disclosed
US-20230337537-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES UDC IRELAND LIMITED (IE) 2023-10-19 US disclosed
US-20230337537-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES UDC IRELAND LIMITED (IE) 2023-10-19 US disclosed
CN-115968393-A Organic molecules for optoelectronic devices 三星显示有限公司 2023-04-14 CN disclosed
CN-113620811-B Halogenation method of aromatic compound 中国科学院兰州化学物理研究所 2022-05-24 CN disclosed
CN-113912621-A Containing SO2Spiro pyrrolocarbazoles and application thereof 北京云基科技有限公司 2022-01-11 CN disclosed
CN-113880854-A Organic compound containing spiro furocarbazole structure and application thereof 北京云基科技有限公司 2022-01-04 CN disclosed
CN-113880861-A Containing SO2Spiro pyrrolocarbazoles compounds and application thereof 北京云基科技有限公司 2022-01-04 CN disclosed
US-8173803-B2 Supramolecular scaffolds and methods of making the same LOYOLA UNIVERSITY OF CHICAGO (US) 2012-05-08 US disclosed
US-7700595-B2 such as 3-benzyl-4-phenyl-8-(trifluoromethyl)cinnoline; modulators of Liver X receptors (LXRs) WYETH LLC (US) 2010-04-20 US disclosed
US-20100041880-A1 Supramolecular Scaffolds and Methods of Making the Same LOYOLA UNIVERSITY OF CHICAGO (US) 2010-02-18 US disclosed
CN-101166730-A Cinnoline compounds and their use as liver X receptor modilators WYETH CORP (US) 2008-04-23 CN disclosed
EP-1853566-A1 CINNOLINE COMPOUNDS AND THEIR USE AS LIVER X RECEPTOR MODULATORS Wyeth (US) 2007-11-14 EP disclosed
US-20060252757-A1 Cinnoline compounds WYETH 2006-11-09 US disclosed
WO-2006094034-A1 CINNOLINE COMPOUNDS AND THEIR USE AS LIVER X RECEPTOR MODILATORS WYETH (US) 2006-09-08 WO disclosed
US-7011699-B2 Inkjet ink, inkjet recording method and production method of inkjet ink FUJI PHOTO FILM CO., LTD. (JP) 2006-03-14 US disclosed
US-20040106700-A1 Inkjet ink, inkjet recording method and production method of inkjet ink FUJI PHOTO FILM CO., LTD. 2004-06-03 US disclosed
US-4362893-A Preparation of C-nitrosodiarylamines from diarylamines UOP INC. (US) 1982-12-07 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 (3 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-20230337537-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES L1CAM, PIEZO1, GPX1 TDP1 1247/4885ALDH1A1 34/4885GAA 2508/4885
US-20060252757-A1 Cinnoline compounds NR1H3, NR1H2, CNR1 TDP1 4009/4885ALDH1A1 938/4885GAA 2674/4885
US-20100041880-A1 Supramolecular Scaffolds and Methods of Making the Same BLM, TBXAS1, TOP2B TDP1 554/4885ALDH1A1 1363/4885GAA 3447/4885

“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.