SCHEMBL17846702

SCHEMBL17846702

NC(=O)c1cccc2ncoc12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.43
MTNR1B P49286 3/20 0.43
PARP1 P09874 11/20 0.42
GLA P06280 1/20 0.41
ADORA2A P29274 1/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TRPA1 O75762 1/20 0.38
IKBKB O14920 1/20 0.38
ELANE P08246 1/20 0.38

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
SCHEMBL905742 0.84 ALDH1A1 (0.49) MTNR1AMTNR1BKDM4EALDH1A1MAPT
SCHEMBL905702 0.82 MTNR1A (0.43) MTNR1AMTNR1BALDH1A1ELANE
SCHEMBL31596506 0.82 MTNR1A (0.50) MTNR1AMTNR1BKDM4EALDH1A1MAPT
SCHEMBL27595069 0.79 MTNR1A (0.42) MTNR1AMTNR1BGLAKDM4EALDH1A1
SCHEMBL3573582 0.78 MTNR1A (0.47) MTNR1AMTNR1BKDM4EALDH1A1TSHR
SCHEMBL29685513 0.78 MTNR1A (0.47) MTNR1AMTNR1BKDM4EALDH1A1TSHR
SCHEMBL28853339 0.72 MTNR1A (0.40) MTNR1AMTNR1BKDM4EALDH1A1MAPT
SCHEMBL27698463 0.71 ALDH1A1 (0.43) MTNR1AMTNR1BKDM4EALDH1A1MAPT
SCHEMBL854498 0.71 PARP1 (0.50) PARP1GLAADORA2AALDH1A1
SCHEMBL1172748 0.71 ELANE (0.39) MTNR1AMTNR1BGLAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101160307-A Benzoxazole carboxamides for the treatment of CINV and IBS-D AMR TECHNOLOGY INC (US) 2008-04-09 CN claimed
CN-115124485-B Sulfoxide-containing benzoxazole derivative, and preparation method and application thereof 中国医学科学院药物研究所 2023-12-15 CN disclosed
US-20230255906-A1 Targeting Serpin B9 in Cancer THE BRIGHAM AND WOMEN'S HOSPITAL, INC. 2023-08-17 US disclosed
CN-115124485-A Benzoxazole derivatives containing sulfoxide as well as preparation method and application thereof 中国医学科学院药物研究所 2022-09-30 CN disclosed
EP-3843853-A1 HETEROCYCLIC COMPOUNDS AS AHR MODULATORS JAGUAHR THERAPEUTICS PTE LTD (SG) 2021-07-07 EP disclosed
WO-2020043880-A1 HETEROCYCLIC COMPOUNDS AS AHR MODULATORS JAGUAHR THERAPEUTICS PTE LTD (SG) 2020-03-05 WO disclosed
WO-2016100161-A1 ETHYLDIAMINE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-06-23 WO disclosed
CN-101160307-A Benzoxazole carboxamides for the treatment of CINV and IBS-D AMR TECHNOLOGY INC (US) 2008-04-09 CN 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-20230255906-A1 Targeting Serpin B9 in Cancer SERPINB10, SERPINB8, SERPINE1 MTNR1A 4131/4885MTNR1B 2395/4885PARP1 1304/4885

“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.