SCHEMBL287121

SCHEMBL287121

O=C(O)c1cnc(Cl)cn1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.72
NAPRT Q6XQN6 3/20 0.48
KDM4E B2RXH2 4/20 0.46
HCAR2 Q8TDS4 2/20 0.46
P4HTM Q9NXG6 8/20 0.45
P4HA1 P13674 1/20 0.45
MIF P14174 1/20 0.45
JUN P05412 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
ALDH1A1 P00352 2/20 0.43
ASPH Q12797 2/20 0.41
KDM8 Q8N371 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.37
MAPK1 P28482 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL30159768 1.00 SIRT6 (0.72) SIRT6NAPRTKDM4EHCAR2P4HTM
SCHEMBL6078516 0.98 SIRT6 (0.69) SIRT6NAPRTKDM4EHCAR2P4HTM
Hydrochloric Acid SCHEMBL30263277 0.98 SIRT6 (0.69) SIRT6NAPRTKDM4EHCAR2P4HTM
Hydrochloric Acid SCHEMBL9310461 0.98 SIRT6 (0.69) SIRT6NAPRTKDM4EHCAR2P4HTM
SCHEMBL28182374 0.90 SIRT6 (0.60) SIRT6NAPRTKDM4EHCAR2P4HTM
SCHEMBL70035 0.84 KDM4E (0.59) SIRT6NAPRTKDM4EHCAR2P4HTM
SCHEMBL31041116 0.84 SIRT6 (1.00) SIRT6NAPRTP4HTMP4HA1MIF
SCHEMBL1432968 0.84 SIRT6 (1.00) SIRT6NAPRTP4HTMP4HA1MIF
SCHEMBL30263065 0.83 SIRT6 (0.68) SIRT6NAPRTP4HTMP4HA1MIF
SCHEMBL27741418 0.83 SIRT6 (0.68) SIRT6NAPRTP4HTMP4HA1MIF

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 1131 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119462646-A Substituted tetrahydro-beta-carboline derivative, synthesis method and application thereof 江苏科技大学 2025-02-18 CN claimed
CN-113912534-B Biphenyl heterocyclic compound, synthesis method and application thereof 江苏科技大学 2023-07-25 CN claimed
US-11697636-B2 Substituted benzamides HOFFMANN-LA ROCHE INC. (US) 2023-07-11 US claimed
WO-2023083161-A1 BIPHENYL HETEROCYCLIC COMPOUND, AND SYNTHESIS METHOD THEREFOR AND USE THEREOF 江苏科技大学 2023-05-19 WO claimed
CN-113980025-B Nicotine and indole hybrid compound, and synthesis method and application thereof 江苏科技大学 2023-02-24 CN claimed
CN-113880847-B Cyclotryptamine alkaloid, and synthesis method and application thereof 江苏科技大学 2023-02-03 CN claimed
CN-113912534-A Biphenyl heterocyclic compound, and synthesis method and application thereof 江苏科技大学 2022-01-11 CN claimed
CN-113880847-A Cyclotryptamine alkaloid, and synthesis method and application thereof 江苏科技大学 2022-01-04 CN claimed
US-20210061760-A1 SUBSTITUTED BENZAMIDES HOFFMANN LA ROCHE (US) 2021-03-04 US claimed
CN-107840828-B Synthesis method of 2-chloro-5-trifluoromethylpyrazine 金凯(辽宁)化工有限公司 2020-11-03 CN claimed
EP-2475658-A1 2 -AMINODIHYDRO [1, 3]THIAZINES AS BACE 2 INHIBITORS FOR THE TREATMENT OF DIABETES F. Hoffmann-La Roche AG (CH) 2012-07-18 EP claimed
EP-2456763-A1 OXAZINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS Novartis AG (CH) 2012-05-30 EP claimed
CN-102482268-A 2-Aminodihydro [1,3] thiazines as BACE2 inhibitors for the treatment of diabetes HOFFMANN LA ROCHE 2012-05-30 CN claimed
CN-102471293-A Oxazine derivatives and their use as BACE inhibitors for the treatment of neurological disorders NOVARTIS AG 2012-05-23 CN claimed
CN-102421760-A Dihydropyrimidinones useful as BACE2 inhibitors HOFFMANN LA ROCHE 2012-04-18 CN claimed
WO-2012006953-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2012-01-19 WO claimed
US-20110065695-A1 USE OF AMINODIHYDROTHIAZINES FOR THE TREATMENT OR PREVENTION OF DIABETES HOFFMANN-LA ROCHE, INC. 2011-03-17 US claimed
WO-2010128058-A1 DIHYDROPYRIMIDINONES FOR USE AS BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 WO claimed
US-20100286158-A1 DIHYDROPYRIMIDINONES HOFFMANN-LA ROCHE, INC. 2010-11-11 US claimed
WO-2008050200-A1 OXADIAZOLE COMPOUNDS AS CALCIUM CHANNEL ANTAGONISTS PFIZER PRODUCTS INC. (US) 2008-05-02 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20210061760-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R SIRT6 3673/4885NAPRT 904/4885KDM4E 1864/4885
US-20110065695-A1 USE OF AMINODIHYDROTHIAZINES FOR THE TREATMENT OR PREVENTION OF DIABETES SLC5A2, SLC5A1, GLP1R SIRT6 796/4885NAPRT 2801/4885KDM4E 1845/4885
US-11697636-B2 Substituted benzamides TAAR1, TAAR5, NPY1R SIRT6 3673/4885NAPRT 904/4885KDM4E 1864/4885
US-20100286158-A1 DIHYDROPYRIMIDINONES BACE2, BACE1, PSEN2 SIRT6 910/4885NAPRT 1927/4885KDM4E 2548/4885

“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.