SCHEMBL3767201

SCHEMBL3767201

COc1ccc[c]c1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.49
ADRA1D P25100 2/20 0.49
ADRA1A P35348 2/20 0.49
ADRA1B P35368 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
APP P05067 1/20 0.46
RXRA P19793 1/20 0.45
BCHE P06276 2/20 0.44
ATM Q13315 1/20 0.44
MAOB P27338 1/20 0.44
LIPE Q05469 1/20 0.44
ABCB1 P08183 4/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
DRD2 P14416 2/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41

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
SCHEMBL1190605 0.88 MAPT (0.52) HTR1AADRA1DADRA1AADRA1BL3MBTL1
SCHEMBL11413069 0.87 NPC1 (0.49) HTR1AADRA1DADRA1AADRA1BTDP1
SCHEMBL1119402 0.87 MAPT (0.51) HTR1AADRA1DADRA1AADRA1BL3MBTL1
SCHEMBL3324126 0.82 MAOB (0.54) L3MBTL1MAOB
SCHEMBL6614268 0.81 NPC1 (0.52) HTR1AADRA1DADRA1AADRA1BAPP
SCHEMBL28034423 0.80 MAPT (0.40) HTR1AADRA1DADRA1AADRA1BL3MBTL1
SCHEMBL7294363 0.79 L3MBTL1 (0.46) HTR1AADRA1DADRA1AADRA1BL3MBTL1
SCHEMBL314855 0.79 CA1 (0.39) L3MBTL1MAPTMAPK1TDP1
SCHEMBL8732802 0.79 MAPT (0.46) HTR1AL3MBTL1MAPTMAPK1TDP1
SCHEMBL368084 0.78 TSHR (0.44) HTR1AADRA1DADRA1AADRA1BL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017034377-A1 PYRIDOPYRIMIDINONE COMPOUNDS FOR MODULATING THE CATALYTIC ACTIVITY OF HISTONE LYSINE DEMETHYLASES (KDMS) DONG-A ST CO., LTD. (KR) 2017-03-02 WO claimed
US-20170057955-A1 Pyridopyrimidinone Compounds for Modulating the Catalytic Activity of Histone Lysine Demethylases (KDMs) DONG-A ST CO., LTD. (KR) 2017-03-02 US claimed
EP-1673349-A4 BENZIMIDAZOLE DERIVATES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S BIO PTE LTD (SG) 2008-01-23 EP claimed
JP-2007505942-A 2007-03-15 JP claimed
EP-1673349-A1 BENZIMIDAZOLE DERIVATES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*Bio Pte Ltd (SG) 2006-06-28 EP claimed
WO-2005028447-A1 BENZIMIDAZOLE DERIVATES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*BIO PTE LTD (SG) 2005-03-31 WO claimed
EP-0139614-B1 PHARMACEUTICAL PREPARATIONS CONTAINING FLAVANONE OR THIOFLAVANONE DERIVATIVES, THE USE THEREOF, NOVEL FLAVANONES AND THIOFLAVANONES, AND PROCESSES FOR THEIR MANUFACTURE Zyma SA (CH) 1990-08-22 EP claimed
US-4857543-A TREATMENT OF GASTROINTESTINAL DISORDERS TANABE SEIYAKU CO., LTD. (JP) 1989-08-15 US claimed
EP-0297782-A1 A thiophene derivative and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1989-01-04 EP claimed
CN-113307772-B Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2024-06-28 CN disclosed
CN-114349703-B Trifluoromethyl-4-cyano pyrazole compound, and preparation method and application thereof 天津大学 2024-05-10 CN disclosed
CN-114349703-A Trifluoromethyl-4-cyanopyrazole compound, and preparation method and application thereof 天津大学 2022-04-15 CN disclosed
CN-108430994-B Compounds, compositions and methods for modulating CFTR 蛋白质平衡治疗股份有限公司 2022-04-12 CN disclosed
CN-113307772-A Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2021-08-27 CN disclosed
EP-0381434-A1 Process for producing optically active alcohol SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-08-08 EP disclosed
EP-0347766-A2 4,5,7,8-Tetrahydro-6H-thiazolo[5,4-d]azepines, their preparation and their use as medicaments Dr. Karl Thomae GmbH (DE) 1989-12-27 EP disclosed
US-4857543-A TREATMENT OF GASTROINTESTINAL DISORDERS TANABE SEIYAKU CO., LTD. (JP) 1989-08-15 US disclosed
EP-0311385-A2 Optically active hydroxybenzylamine derivative, optically active amine-boron compound containing said derivative, and process for producing optically active compound by using said compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-04-12 EP disclosed
EP-0297782-A1 A thiophene derivative and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1989-01-04 EP disclosed
US-4176184-A CARDIOTONICS, HYPOTENSIVES, ANTITHROMBOTICS AND ANTIARRHYTHMICS BOEHRINGER INGELHEIM GMBH (DE) 1979-11-27 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 (1 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-20170057955-A1 Pyridopyrimidinone Compounds for Modulating the Catalytic Activity of Histone Lysine Demethylases (KDMs) KDM1B, KDM1A, KDM3B HTR1A 2454/4885ADRA1D 4068/4885ADRA1A 3590/4885

“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.