SCHEMBL21590896

SCHEMBL21590896

CCOC(=O)c1c(-c2ccc(Cl)nn2)noc1C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
HPGD P15428 5/20 0.46
ALDH1A1 P00352 3/20 0.46
POLB P06746 2/20 0.46
TDP1 Q9NUW8 1/20 0.45
TSHR P16473 4/20 0.45
MAPK1 P28482 2/20 0.44
ALOX15 P16050 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
TP53 P04637 2/20 0.43
ATM Q13315 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
PTBP1 P26599 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 1/20 0.40

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
SCHEMBL30592839 0.87 POLB (0.46) MAPTHPGDALDH1A1POLBTDP1
SCHEMBL20241039 0.87 POLB (0.46) MAPTHPGDALDH1A1POLBTDP1
SCHEMBL21590738 0.81 POLB (0.42) MAPTHPGDALDH1A1POLBTDP1
SCHEMBL30592812 0.81 GABRA5 (0.53) MAPTHPGDALDH1A1POLBTDP1
SCHEMBL1776503 0.81 GABRA5 (0.53) MAPTHPGDALDH1A1POLBTDP1
SCHEMBL20241142 0.79 L3MBTL1 (0.50) MAPTHPGDALDH1A1POLBTDP1
SCHEMBL16448979 0.77 TSHR (0.66) MAPTHPGDALDH1A1POLBTDP1
SCHEMBL286360 0.77 GPBAR1 (0.62) MAPTHPGDALDH1A1POLBTDP1
SCHEMBL11893455 0.76 MAPT (0.61) MAPTHPGDALDH1A1POLBTDP1
SCHEMBL2779302 0.76 TDP1 (0.66) HPGDALDH1A1POLBTDP1TSHR

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 MAPT 2899/4885HPGD 2828/4885ALDH1A1 1215/4885
US-20210094945-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM GABRA5, GABRB2, GABRB1 MAPT 1965/4885HPGD 3567/4885ALDH1A1 1579/4885

“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.