SCHEMBL21590765

SCHEMBL21590765

CCOC(=O)c1conc1-c1ccc(C(F)(F)F)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.42
ALDH1A1 P00352 4/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 4/20 0.39
KCNH2 Q12809 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 2/20 0.39
LMNA P02545 1/20 0.39
ATM Q13315 1/20 0.39
HPGD P15428 4/20 0.39
HSD17B10 Q99714 3/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
GABRA1 P14867 1/20 0.37
MLYCD O95822 1/20 0.37
IDO1 P14902 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
SCHEMBL20241126 0.84 ALDH1A1 (0.42) ALDH1A1MAPTSMN1; SMN2MAPK1LMNA
SCHEMBL5773409 0.83 MAPT (0.49) KDM4EMAPTSMN1; SMN2TSHRL3MBTL1
SCHEMBL28907770 0.81 KDM4E (0.47) KDM4EALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL21590761 0.81 KCNH2 (0.38) KCNH2
SCHEMBL17393106 0.79 FOS (0.50) KDM4EALDH1A1GAAMAPTKCNH2
SCHEMBL20241125 0.79 GPBAR1 (0.52) KDM4EALDH1A1GAASMN1; SMN2MAPK1
SCHEMBL1776614 0.79 KDM4E (0.51) KDM4EALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL29744282 0.78 TSHR (0.50) KDM4EALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL8163709 0.77 TSHR (0.44) KDM4EALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL11396911 0.77 MEN1 (0.53) KDM4EALDH1A1GAAMAPTSMN1; SMN2

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
US-11840528-B2 Isoxazolyl ether derivatives as GABAA α5 PAM HOFFMANN-LA ROCHE INC. (US) 2023-12-12 US disclosed
EP-3807269-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM F. Hoffmann-La Roche AG (CH) 2021-04-21 EP disclosed
US-20210094945-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM HOFFMANN-LA ROCHE INC. (US) 2021-04-01 US disclosed
CN-112424196-A Novel isoxazolyl ether derivatives as GABAA alpha 5 PAM 豪夫迈·罗氏有限公司 2021-02-26 CN disclosed
WO-2019238633-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM F. HOFFMANN-LA ROCHE AG (CH) 2019-12-19 WO 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-11840528-B2 Isoxazolyl ether derivatives as GABAA α5 PAM GABRA5, GABRA2, GABRB2 KDM4E 906/4885ALDH1A1 1215/4885GAA 2921/4885
US-20210094945-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM GABRA5, GABRB2, GABRB1 KDM4E 792/4885ALDH1A1 1579/4885GAA 1815/4885

“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.