SCHEMBL18890683

SCHEMBL18890683

CCOC(=O)C1(C)CN(Cc2ccc(C(=O)OC)cc2)CCC1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
MAPT P10636 3/20 0.56
ATM Q13315 1/20 0.56
KDM4E B2RXH2 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
CHKA P35790 1/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
TNF P01375 1/20 0.44
NOD2 Q9HC29 1/20 0.44
NOD1 Q9Y239 1/20 0.44
CXCR3 P49682 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPK1 P28482 3/20 0.43
GAA P10253 2/20 0.43
LMNA P02545 2/20 0.43
TSHR P16473 1/20 0.43
STAT3 P40763 1/20 0.43
HPGD P15428 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
SCHEMBL4380505 0.85 CYP3A4 (0.51) MEN1KMT2AMAPTKDM4EL3MBTL1
SCHEMBL16130131 0.74 CHKA (0.60) MEN1KMT2AMAPTATMKDM4E
SCHEMBL9773708 0.73 CYP3A4 (0.50) MEN1KMT2AKDM4EL3MBTL1SMN1; SMN2
SCHEMBL64210 0.73 CHKA (0.58) MEN1KMT2AMAPTATMKDM4E
SCHEMBL18890222 0.72 KDM4E (0.64) MEN1KMT2AMAPTATMKDM4E
Hydrochloric Acid SCHEMBL10901938 0.72 KDM4E (0.66) MEN1KMT2AMAPTATMKDM4E
SCHEMBL20333115 0.71 CHKA (0.50) MEN1KMT2AMAPTATMKDM4E
SCHEMBL20333157 0.71 MEN1 (0.60) MEN1KMT2AMAPTATMKDM4E
SCHEMBL15710575 0.70 KDM4E (0.50) MEN1KMT2AMAPTKDM4EL3MBTL1
SCHEMBL9831170 0.70 KMT2A (0.59) MEN1KMT2AMAPTKDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3170823-B1 6,7-DIHYDRO-2H-PYRAZOLO[4,3-C]PYRIDIN-3(5H)-ONE DERIVATIVES AND THEIR USE FOR TREATING A DISEASE ASSOCIATED WITH AMPK KINASE ACTIVITY SHANGHAI INST MATERIA MEDICA CAS (CN) 2021-04-28 EP disclosed
US-10196389-B2 One class of pyrazolone compounds and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2019-02-05 US disclosed
US-20170247371-A1 ONE CLASS OF PYRAZOLONE COMPOUNDS AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2017-08-31 US disclosed
US-20170247371-A1 ONE CLASS OF PYRAZOLONE COMPOUNDS AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2017-08-31 US disclosed
EP-3170823-A1 ONE CLASS OF PYRAZOLONE COMPOUNDS AND USE THEREOF Shanghai Institute Of Materia Medica Chinese Academy of Sciences (CN) 2017-05-24 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-20170247371-A1 ONE CLASS OF PYRAZOLONE COMPOUNDS AND USE THEREOF PRKAA1, PCK2, GOT1 MEN1 4146/4885KMT2A 4092/4885MAPT 1829/4885
US-10196389-B2 One class of pyrazolone compounds and use thereof PRKAA1, PCK2, GOT1 MEN1 4146/4885KMT2A 4092/4885MAPT 1829/4885

“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.