SCHEMBL5432001

SCHEMBL5432001

Cc1nc2c(O)cccc2s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.61
DYRK1A Q13627 1/20 0.54
APP P05067 1/20 0.51
METAP2 P50579 2/20 0.46
ACHE P22303 1/20 0.43
ALDH1A1 P00352 3/20 0.43
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
KDM4E B2RXH2 2/20 0.42
RET P07949 1/20 0.40
FLT1 P17948 1/20 0.40
KDR P35968 1/20 0.40
MAPK14 Q16539 1/20 0.40
MAPT P10636 3/20 0.39
MMP2 P08253 1/20 0.39
CHRM1 P11229 1/20 0.39
TSHR P16473 1/20 0.39
COMT P21964 1/20 0.39

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
SCHEMBL6544062 0.79 PDPK1 (0.66) PDPK1DYRK1AAPPMETAP2ACHE
SCHEMBL1748098 0.79 ALDH1A1 (0.66) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL29951795 0.78 PDPK1 (0.59) PDPK1DYRK1AAPPMETAP2ACHE
Iodide SCHEMBL1770191 0.78 ALDH1A1 (0.63) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL17987894 0.76 PDPK1 (0.61) PDPK1DYRK1AAPPMETAP2ACHE
SCHEMBL5820155 0.76 PDPK1 (0.61) PDPK1DYRK1AAPPMETAP2ACHE
SCHEMBL3622776 0.76 PDPK1 (0.61) PDPK1DYRK1AAPPMETAP2ACHE
SCHEMBL74065 0.76 PDPK1 (1.00) PDPK1DYRK1AAPPMETAP2ACHE
SCHEMBL534640 0.76 ALDH1A1 (0.52) PDPK1ALDH1A1RAB9ANPC1KMT2A
SCHEMBL2615997 0.76 LMNA (0.61) ALDH1A1RAB9ANPC1KMT2AMEN1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023020534-A1 COMPOUNDS AND THEIR USES AS MIF INHIBITORS NANJING IMMUNOPHAGE BIOTECH CO., LTD (CN) 2023-02-23 WO disclosed
US-20230046569-A1 NSD FAMILY INHIBITORS AND METHODS OF TREATMENT THEREWITH THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2023-02-16 US disclosed
US-11324729-B2 NSD family inhibitors and methods of treatment therewith THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2022-05-10 US disclosed
US-11053234-B2 1,3 di-substituted cyclobutane or azetidine derivatives as hematopoietic prostaglandin D synthase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-07-06 US disclosed
CN-107829094-B High temperature resistant corrosion inhibitor and preparation method thereof 中国石油化工股份有限公司 2019-10-11 CN disclosed
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-08-08 US disclosed
US-20190183865-A1 NSD FAMILY INHIBITORS AND METHODS OF TREATMENT THEREWITH THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2019-06-20 US disclosed
WO-2019113469-A1 NSD FAMILY INHIBITORS AND METHODS OF TREATMENT THEREWITH THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-06-13 WO disclosed
WO-2018069863-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-04-19 WO disclosed
CN-107829094-A Sulfur resistive high temperature resistant corrosion inhibitor and preparation method thereof 中国石油化工股份有限公司 2018-03-23 CN disclosed
US-20070123543-A1 Novel compounds ASTRAZENECA AB (SE) 2007-05-31 US disclosed
EP-1699803-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2006-09-13 EP disclosed
WO-2005054249-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2005-06-16 WO disclosed
EP-0808838-B1 Sulfur-containing heterocyclic bradykinin antagonists, processes for their production and use thereof HOECHST AG (DE) 2003-10-22 EP disclosed
US-5834500-A ADMINISTERING DERIVATIVES OF BENZYLOXY-BENZOTHIAZENES TO CONTROL RELEASE OF PROSTAGLANDINS, LEUKOTRIENES, HISTAMINES, TACHYKININS, THROMBOXANES; ANALGESICS, ANTIASTHMATIC, ANTIINFLAMMATORY, WOUND HEALING AND ANTITUMOR AGENTSAGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1998-11-10 US disclosed
CN-1169992-A Sulfur-containing heterocyclic brad-ykinin antagcnists, process for their preparation and their use HOECHST AG (DE) 1998-01-14 CN disclosed
EP-0808838-A1 Sulfur-containing heterocyclic bradykinin antagonists, processes for their production and use thereof HOECHST AKTIENGESELLSCHAFT (DE) 1997-11-26 EP 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-11053234-B2 1,3 di-substituted cyclobutane or azetidine derivatives as hematopoietic prostaglandin D synthase inhibitors HPGDS, PTGDR, PTGER1 PDPK1 2065/4885DYRK1A 3195/4885APP 2225/4885
US-20230046569-A1 NSD FAMILY INHIBITORS AND METHODS OF TREATMENT THEREWITH NSD3, NSD2, NSD1 PDPK1 4206/4885DYRK1A 4271/4885APP 3921/4885
US-20070123543-A1 Novel compounds C1R, CHRM2, CHRM1 PDPK1 3965/4885DYRK1A 2254/4885APP 2628/4885
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS HPGDS, PTGDR, PTGER1 PDPK1 2065/4885DYRK1A 3195/4885APP 2225/4885
US-11324729-B2 NSD family inhibitors and methods of treatment therewith NSD3, NSD2, NSD1 PDPK1 4206/4885DYRK1A 4271/4885APP 3921/4885
US-20190183865-A1 NSD FAMILY INHIBITORS AND METHODS OF TREATMENT THEREWITH NSD3, NSD2, NSD1 PDPK1 4206/4885DYRK1A 4271/4885APP 3921/4885

“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.