SCHEMBL102595

SCHEMBL102595

CC(=O)c1ccc2c(n1)OCCO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 3/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
PKM P14618 1/20 0.37
ATM Q13315 1/20 0.37
POLB P06746 3/20 0.36
MEN1 O00255 2/20 0.36
NFKB1 P19838 2/20 0.36
NFKB2 Q00653 2/20 0.36
KMT2A Q03164 2/20 0.36
RELA Q04206 2/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 2/20 0.36

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
SCHEMBL30134003 1.00 KDM4E (0.44) KDM4ECYP1A2CYP2C19NPSR1SMN1; SMN2
SCHEMBL31003117 0.86 ALDH1A1 (0.40) KDM4ESMN1; SMN2MAPTRAB9ANPC1
SCHEMBL4757883 0.84 KDM4E (0.42) KDM4ENPSR1SMN1; SMN2MAPTRAB9A
SCHEMBL25139836 0.81 PTGS1 (0.40) KDM4ECYP1A2CYP2C19NPSR1SMN1; SMN2
SCHEMBL31003325 0.77 MAP3K14 (0.40) KDM4ECYP1A2CYP2C19NPSR1SMN1; SMN2
SCHEMBL21597024 0.77 MAP3K14 (0.38) KDM4ECYP1A2CYP2C19SMN1; SMN2GAA
SCHEMBL21597019 0.75 GRM1 (0.39) KDM4ESMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL2437485 0.72 CYP3A4 (0.43) KDM4ECYP1A2CYP2C19NPSR1SMN1; SMN2
SCHEMBL2440894 0.71 SMN1; SMN2 (0.44) CYP1A2CYP2C19NPSR1SMN1; SMN2GAA
SCHEMBL2437286 0.71 MBOAT4 (0.40) KDM4ESMN1; SMN2GAAMAPTRAB9A

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
US-20210300943-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-09-30 US disclosed
US-20210122763-A1 OGA INHIBITOR COMPOUNDS JANSSEN-CILAG S.A. (ES) 2021-04-29 US disclosed
WO-2019243526-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO disclosed
WO-2019243530-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO disclosed
EP-2426113-B1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER KOWA CO (JP) 2013-11-06 EP disclosed
US-8551985-B2 Carbinol derivatives having heterocyclic linker KOWA COMPANY, LTD. (JP) 2013-10-08 US disclosed
EP-2426113-A1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER Kowa Company, Ltd. (JP) 2012-03-07 EP disclosed
US-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-11-04 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 (3 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-20210122763-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN KDM4E 1495/4885CYP1A2 4439/4885CYP2C19 4372/4885
US-20210300943-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN KDM4E 1495/4885CYP1A2 4439/4885CYP2C19 4372/4885
US-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER NR1H2, NR1H3, CCR2 KDM4E 3663/4885CYP1A2 1505/4885CYP2C19 1947/4885

“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.