SCHEMBL4063265

SCHEMBL4063265

COc1ccc(-n2c(C)c([N+](=O)[O-])c3ccc(O)cc32)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 1.00
GSK3B P49841 1/20 1.00
DYRK1A Q13627 1/20 1.00
CLK4 Q9HAZ1 1/20 1.00
DYRK1B Q9Y463 1/20 1.00
HTT P42858 9/20 0.77
ALDH1A1 P00352 6/20 0.56
LMNA P02545 3/20 0.56
MAPT P10636 8/20 0.54
PKM P14618 3/20 0.54
HPGD P15428 3/20 0.54
NPSR1 Q6W5P4 2/20 0.54
MAPK1 P28482 2/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HSD17B10 Q99714 1/20 0.54
HIF1A Q16665 1/20 0.54
GAA P10253 3/20 0.48
KDM4E B2RXH2 3/20 0.48

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
SCHEMBL30697294 1.00 CLK1 (1.00) CLK1GSK3BDYRK1ACLK4DYRK1B
SCHEMBL4062708 0.96 CLK1 (0.93) CLK1GSK3BDYRK1ACLK4DYRK1B
Acetic Acid SCHEMBL4066978 0.95 CLK1 (0.91) CLK1GSK3BDYRK1ACLK4DYRK1B
SCHEMBL4795234 0.92 CLK1 (0.85) CLK1GSK3BDYRK1ACLK4DYRK1B
SCHEMBL4066988 0.87 HTT (1.00) CLK1GSK3BDYRK1ACLK4DYRK1B
SCHEMBL14863869 0.87 CLK1 (0.77) CLK1GSK3BDYRK1ACLK4DYRK1B
SCHEMBL4071064 0.85 HTT (0.81) CLK1GSK3BDYRK1ACLK4DYRK1B
SCHEMBL4066980 0.85 CLK1 (0.73) CLK1GSK3BDYRK1ACLK4DYRK1B
SCHEMBL4065608 0.85 HTT (1.00) CLK1GSK3BDYRK1ACLK4DYRK1B
SCHEMBL4066650 0.82 CLK1 (0.70) CLK1GSK3BDYRK1ACLK4DYRK1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3892719-B1 UNDIFFERENTIATED STATE-MAINTAINING CULTURE MEDIUM FOR PLURIPOTENT STEM CELLS KANTO KAGAKU (JP) 2025-02-05 EP claimed
EP-4496800-A1 PEPTIDE TO TREAT ALPHA-SYNUCLEIN AMYLOID BASED DISORDERS Council of Scientific & Industrial Research (IN) 2025-01-29 EP claimed
US-20240317713-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER (US) 2024-09-26 US claimed
US-20240316055-A1 METHODS FOR TREATING LEIGH SYNDROME DBCC RES LLC (US) 2024-09-26 US claimed
CN-113166723-B Undifferentiated maintenance medium for pluripotent stem cells 关东化学株式会社 2024-08-30 CN claimed
US-11964961-B2 Heteroaromatic compounds and their use as dopamine D1 ligands PFIZER INC. (US) 2024-04-23 US claimed
CN-117165524-A Culture system and method for large-scale in-vitro amplification of cord blood-derived hematopoietic stem cells 山西医科大学 2023-12-05 CN claimed
WO-2023181070-A1 PEPTIDE TO TREAT α-SYNUCLEIN AMYLOID BASED DISORDERS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2023-09-28 WO claimed
CN-108295250-B Oral tumor vaccine and application thereof 湖北盛齐安生物科技股份有限公司 2023-07-21 CN claimed
US-20230070582-A1 UTILIZATION OF FGF ACTIVATORS IN CULTURE MEDIA YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2023-03-09 US claimed
WO-2023020566-A1 BENZO NITROGEN-CONTAINING HETEROAROMATIC RING DERIVATIVE AND USE THEREOF IN MEDICINE 四川海思科制药有限公司 2023-02-23 WO claimed
US-20230049767-A1 EXPRESSION VECTOR PRODUCTION AND HIGH-THROUGHPUT CELL SCREENING KYMAB LTD (GB) 2023-02-16 US claimed
CN-112831462-B Compositions, media and methods for inducing reprogramming of human cells to induced pluripotent stem cells 复旦大学 2022-10-18 CN claimed
CN-115181164-A Derivatives of amatoxins and their coupling to cell binding molecules 杭州多禧生物科技有限公司 2022-10-14 CN claimed
CN-114794088-B Human pluripotent stem cell cryopreservation liquid and application thereof 北京细胞治疗集团有限公司 2022-09-27 CN claimed
CN-115052970-A Use of fibroblast growth factor activator in culture medium 耶路撒冷希伯来大学伊森姆研究发展有限公司 2022-09-13 CN claimed
CN-114794088-A Human pluripotent stem cell cryopreservation liquid and application thereof 北京细胞治疗集团有限公司 2022-07-29 CN claimed
WO-2022149615-A1 CULTURE MEDIUM FOR EXPANSION CULTURE OF NEPHRON PROGENITOR CELL, METHOD FOR PERFORMING EXPANSION CULTURE OF NEPHRON PROGENITOR CELL, AND METHOD FOR PRODUCING KIDNEY ORGANOID 国立大学法人京都大学 2022-07-14 WO claimed
US-12641625-B2 Method and device for configuring resource selection window for SL group transmission in NR V2X LG ELECTRONICS INC. (KR) 2026-05-26 US disclosed
US-20050153941-A1 Increasing Stage Specific Embryonic Antigen (SSEA) and Nanog gene levels; culturing a stem cell using a low molecular weight derivative of 2-(phenylazo)-2-(3,4-dihydro-2H-isoquinoline-1-ylidene) or N-phenylindole ASAHI KASEI KABUSHIKI KAISHA (JP) 2005-07-14 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 (5 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-11964961-B2 Heteroaromatic compounds and their use as dopamine D1 ligands DRD2, DRD1, HTR1D CLK1 637/4885GSK3B 101/4885DYRK1A 1717/4885
US-20240317713-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS DRD2, DRD1, HTR1D CLK1 637/4885GSK3B 101/4885DYRK1A 1717/4885
US-20240316055-A1 METHODS FOR TREATING LEIGH SYNDROME ECHS1, GLS2, OAT CLK1 1305/4885GSK3B 2729/4885DYRK1A 4158/4885
US-20050153941-A1 Increasing Stage Specific Embryonic Antigen (SSEA) and Nanog gene levels; culturing a stem cell using a low molecular weight derivative of 2-(phenylazo)-2-(3,4-dihydro-2H-isoquinoline-1-ylidene) or N-phenylindole MKI67, ALPG, NES CLK1 4264/4885GSK3B 3504/4885DYRK1A 2920/4885
US-12641625-B2 Method and device for configuring resource selection window for SL group transmission in NR V2X SLIRP, NMUR2, SLFN12 CLK1 336/4885GSK3B 2874/4885DYRK1A 1723/4885

“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.