SCHEMBL5355121

SCHEMBL5355121

COc1cc2c(cc1OC)C(c1ccccc1)=NCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 12/20 0.80
LMNA P02545 2/20 0.76
ALDH1A1 P00352 2/20 0.76
PKM P14618 1/20 0.68
RAD52 P43351 1/20 0.68
CA1 P00915 1/20 0.66
CA2 P00918 1/20 0.66
CA7 P43166 1/20 0.66
CA9 Q16790 1/20 0.66
CA14 Q9ULX7 1/20 0.66
MAPK14 Q16539 2/20 0.62
MAPK9 P45984 1/20 0.62
MAPT P10636 2/20 0.60
HTT P42858 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
KDM4E B2RXH2 2/20 0.59
GLA P06280 1/20 0.59
RCE1 Q9Y256 1/20 0.59
GAA P10253 1/20 0.58

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
SCHEMBL30979840 1.00 MAPK10 (0.80) MAPK10LMNAALDH1A1PKMRAD52
SCHEMBL7109609 0.89 LMNA (0.78) MAPK10LMNAALDH1A1PKMRAD52
SCHEMBL11719015 0.89 MAPK10 (0.65) MAPK10LMNAALDH1A1PKMRAD52
SCHEMBL11715443 0.89 MAPK10 (0.65) MAPK10LMNAALDH1A1PKMRAD52
Hydrochloric Acid SCHEMBL11713492 0.88 MAPK10 (0.63) MAPK10LMNAALDH1A1PKMRAD52
SCHEMBL28931630 0.87 ALDH1A1 (0.79) MAPK10LMNAALDH1A1PKMRAD52
SCHEMBL30597523 0.87 ALDH1A1 (0.79) MAPK10LMNAALDH1A1PKMRAD52
SCHEMBL10426643 0.87 ALDH1A1 (0.74) MAPK10LMNAALDH1A1PKMRAD52
SCHEMBL17144905 0.85 ALDH1A1 (0.71) MAPK10LMNAALDH1A1PKMRAD52
SCHEMBL31011321 0.85 ALDH1A1 (0.76) MAPK10LMNAALDH1A1PKMRAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108239029-A The preparation of tetrahydroisoquinoliderivatives compound and its salt and medical usage 中国医学科学院药物研究所 2018-07-03 CN claimed
US-12390424-B2 Sulfur (VI) fluoride compounds and methods for the preparation thereof THE SCRIPPS RESEARCH INSTITUTE (US) 2025-08-19 US disclosed
CN-118272274-B Lactic acid bacteria starter and application thereof in preparation of blueberry corn peptide fermentation liquor 齐齐哈尔大学 2024-08-09 CN disclosed
CN-118272274-A Lactic acid bacteria starter and application thereof in preparation of blueberry corn peptide fermentation liquor 齐齐哈尔大学 2024-07-02 CN disclosed
CN-118146154-A Method for synergistic catalysis of selective oxidative dehydrogenation of tetrahydroisoquinoline 西安石油大学 2024-06-07 CN disclosed
CN-111689929-B Sulfur fluoride (VI) compound and preparation method thereof 斯克里普斯研究所 2024-05-31 CN disclosed
EP-4295841-A2 SULFUR (VI) FLUORIDE COMPOUNDS AND THEIR USE IN CLICK-REACTION The Scripps Research Institute (US) 2023-12-27 EP disclosed
EP-3892610-B1 SULFUR (VI) FLUORIDE COMPOUNDS AND THEIR USE IN CLICK-REACTION SCRIPPS RESEARCH INST (US) 2023-08-16 EP disclosed
CN-111303145-B Small molecule fluorescent probe and application thereof in chromosome analysis and cytogenetics 陈斯杰 2023-02-28 CN disclosed
US-20220313624-A1 SULFUR (VI) FLUORIDE COMPOUNDS AND METHODS FOR THE PREPARATION THEREOF THE SCRIPPS RESEARCH INSTITUTE (US) 2022-10-06 US disclosed
US-6818651-B2 ANTIINFLAMMATORY, ANTIASTHMATIC, SKIN, AND AUTOIMMUNE DISORDERS; CROHN*S DISEASE, ULCERATIVE COLITIS, CONJUCTIVITIS, MULTIPLE SCLEROSIS, AND RHEUMATOID ARTHRITIS; CHRONIC OBSTRUCTIVE PULMONARY DISEASE ALTANA PHARMA AG (DE) 2004-11-16 US disclosed
US-20040044212-A1 (Dihydro) Isoquinoline derivatives as phosphodiesterase inhibitors ALTANA PHARMA AG (DE) 2004-03-04 US disclosed
EP-1337515-A1 (DIHYDRO)ISOQUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2003-08-27 EP disclosed
EP-1117627-B1 TRANSFER HYDROGENATION PROCESS AVECIA LTD (GB) 2003-05-28 EP disclosed
WO-2003013545-A1 NOVEL BENZO-FUSED HETEROCYCLES AS ENDOTHELIN ANTAGONISITS ACTELION PHARMACEUTICALS LTD (CH) 2003-02-20 WO disclosed
US-6509467-B1 Of iminium salts using transition metal complex catalyst AVECIA LIMITED (GB) 2003-01-21 US disclosed
WO-2002040450-A1 (DIHYDRO)ISOQUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS ALTANA PHARMA AG (DE) 2002-05-23 WO disclosed
WO-2002040449-A1 DIHYDROISOQUINOLINES AS NOVEL PHOSPHODIESTERASE INHIBITORS ALTANA PHARMA AG (DE) 2002-05-23 WO disclosed
EP-1117627-A1 TRANSFER HYDROGENATION PROCESS Avecia Limited (GB) 2001-07-25 EP disclosed
WO-2000018708-A1 TRANSFER HYDROGENATION PROCESS AVECIA LIMITED (GB) 2000-04-06 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 (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-12390424-B2 Sulfur (VI) fluoride compounds and methods for the preparation thereof GRB2, SCTR, OGFR MAPK10 3329/4885LMNA 4654/4885ALDH1A1 4622/4885
US-20220313624-A1 SULFUR (VI) FLUORIDE COMPOUNDS AND METHODS FOR THE PREPARATION THEREOF QSOX1, YBX1, SFXN1 MAPK10 3572/4885LMNA 3340/4885ALDH1A1 3604/4885
US-20040044212-A1 (Dihydro) Isoquinoline derivatives as phosphodiesterase inhibitors PDE7B, PDE3B, PDE3A MAPK10 1836/4885LMNA 1790/4885ALDH1A1 213/4885

“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.