SCHEMBL4154646

SCHEMBL4154646

CC(C)(C)OC(=O)NCc1ncco1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.41
KDM4A O75164 1/20 0.41
ATR Q13535 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NAMPT P43490 1/20 0.41
CA12 O43570 5/20 0.40
CA1 P00915 5/20 0.40
CA2 P00918 5/20 0.40
CA9 Q16790 5/20 0.40
BRD4 O60885 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
GFER P55789 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
SCHEMBL27629573 0.85 SCN9A (0.40) BRD4
SCHEMBL10178236 0.85 HTT (0.54) KDM4ELMNAHTTNPSR1CA12
SCHEMBL13394010 0.78 NTRK1 (0.42) L3MBTL1NPSR1
SCHEMBL15937008 0.78 CTSK (0.44) L3MBTL1KDM4ELMNAHTTKDM4A
SCHEMBL24095922 0.78 FAAH (0.47) CA12CA1CA2CA9
SCHEMBL17717585 0.77 L3MBTL1 (0.42) L3MBTL1KDM4ELMNAHTTKDM4A
SCHEMBL18681306 0.77 CA1 (0.40) LMNAHTTNPSR1CA1CA2
SCHEMBL18667060 0.76 NAMPT (0.36) L3MBTL1KDM4ELMNAKDM4AATR
SCHEMBL31010598 0.76 MAPK1 (0.41) L3MBTL1BRD4
SCHEMBL6468245 0.76 KDM4A (0.42) L3MBTL1KDM4ELMNAHTTKDM4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108440515-B Substituted benzofuranyl and benzoxazolyl compounds and uses thereof 卡尔约药物治疗公司 2022-05-03 CN disclosed
CN-110016020-A Compound or pharmaceutically acceptable salt thereof, application and pharmaceutical composition thereof 铁木医药有限公司 2019-07-16 CN disclosed
CN-109384778-A Use of a compound or a pharmaceutically acceptable salt thereof for the manufacture of a medicament for the treatment of a disease, health condition or disorder 铁木医药有限公司 2019-02-26 CN disclosed
CN-109369635-A Compound or pharmaceutically acceptable salt thereof, application and pharmaceutical composition thereof 铁木医药有限公司 2019-02-22 CN disclosed
CN-108912111-A compounds and pharmaceutical compositions 铁木医药有限公司 2018-11-30 CN disclosed
CN-105408328-B sGC stimulators 铁木医药有限公司 2018-11-16 CN disclosed
CN-108290878-A NOVEL FERROPORTIN INHIBITORS 威佛(国际)股份公司 2018-07-17 CN disclosed
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 US disclosed
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 US disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 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 (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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B L3MBTL1 4568/4885KDM4E 2622/4885LMNA 3403/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B L3MBTL1 4095/4885KDM4E 2795/4885LMNA 3498/4885

“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.