SCHEMBL3573582

SCHEMBL3573582

COC(=O)c1cccc2ncoc12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.47
MTNR1B P49286 3/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
KDM4E B2RXH2 3/20 0.43
ATM Q13315 2/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 2/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CFTR P13569 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TRPA1 O75762 2/20 0.42
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
CETP P11597 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
SCHEMBL29685513 1.00 MTNR1A (0.47) MTNR1AMTNR1BKMT2AMEN1KDM4E
SCHEMBL31596506 0.81 MTNR1A (0.50) MTNR1AMTNR1BKMT2AKDM4EGAA
SCHEMBL28853339 0.81 MTNR1A (0.40) MTNR1AMTNR1BKMT2AMEN1KDM4E
SCHEMBL905742 0.80 ALDH1A1 (0.49) MTNR1AMTNR1BKDM4ELMNATSHR
SCHEMBL22717888 0.79 KDM4E (0.45) MTNR1AMTNR1BKMT2AMEN1KDM4E
SCHEMBL905702 0.78 MTNR1A (0.43) MTNR1AMTNR1BKMT2AMEN1GAA
SCHEMBL17846702 0.78 MTNR1A (0.43) MTNR1AMTNR1BKDM4ETSHRALDH1A1
SCHEMBL25780533 0.78 SLC6A3 (0.41) MTNR1AMTNR1BKMT2AMEN1KDM4E
SCHEMBL25780555 0.78 SLC6A3 (0.44) MTNR1AMTNR1BKMT2AMEN1KDM4E
SCHEMBL27698463 0.77 ALDH1A1 (0.43) MTNR1AMTNR1BKMT2AMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115260180-B Triazole condensed ring derivative, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2024-05-28 CN disclosed
CN-115260180-A Triazole fused ring containing derivative, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2022-11-01 CN disclosed
US-20210395242-A1 HETEROCYCLIC COMPOUNDS AS AHR MODULATORS JAGUAHR THERAPEUTICS PTE LTD (SG) 2021-12-23 US disclosed
WO-2020043880-A1 HETEROCYCLIC COMPOUNDS AS AHR MODULATORS JAGUAHR THERAPEUTICS PTE LTD (SG) 2020-03-05 WO disclosed
CN-105392498-A Anti-malignant tumor agent composition PHARMA CO LTD J 2016-03-09 CN disclosed
CN-101910158-A Pyridine and pyrazine derivatives useful in the treatment of cell proliferative disorders ASTRAZENECA AB 2010-12-08 CN disclosed
US-7645753-B2 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
EP-1858901-B1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS HOFFMANN LA ROCHE (CH) 2008-11-05 EP disclosed
CN-101160307-A Benzoxazole carboxamides for the treatment of CINV and IBS-D AMR TECHNOLOGY INC (US) 2008-04-09 CN disclosed
EP-1858901-A1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2007-11-28 EP disclosed
CN-1293042-C Aromatic amino acid derivative and pharmaceutical composition thereof HITOSHI ENDOU (JP) 2007-01-03 CN disclosed
WO-2006094682-A1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-09-14 WO disclosed
US-20060205718-A1 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-09-14 US disclosed
CN-1630632-A Aromatic amino acid derivative and pharmaceutical composition thereof HITOSHI ENDOU (JP) 2005-06-22 CN disclosed
CN-1039904-C Herbicides RHONE POULENC AGRICULTURE (GB) 1998-09-23 CN disclosed
CN-1104212-A Herbicides RHONE POULENC AGRICULTURE (GB) 1995-06-28 CN disclosed
CN-1095379-A Condensed heterocyclic derivates and weedicide KUMIAI CHEMICAL INDUSTRY CO (JP) 1994-11-23 CN disclosed
US-5200420-A Inotropic agents for cardiovascular disorders BAYER AKTIENGESELLSCHAFT (DE) 1993-04-06 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 (2 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-20210395242-A1 HETEROCYCLIC COMPOUNDS AS AHR MODULATORS AHR, ARNT, AIPL1 MTNR1A 244/4885MTNR1B 252/4885KMT2A 806/4885
US-20060205718-A1 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives SSTR5, SSTR1, SSTR2 MTNR1A 257/4885MTNR1B 275/4885KMT2A 4113/4885

“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.