SCHEMBL21590956

SCHEMBL21590956

Cc1onc(-c2ncc(Cl)cc2F)c1CCl

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 10/20 0.38
ALDH1A1 P00352 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
P2RX7 Q99572 3/20 0.33
SCN5A Q14524 2/20 0.33
SCN9A Q15858 2/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33

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
SCHEMBL21590689 0.87 GABRA5 (0.39) GABRA5ALDH1A1TDP1L3MBTL1SMN1; SMN2
SCHEMBL21590664 0.81 GRIN1 (0.38) GABRA5ALDH1A1GRIN1GRIN2B
SCHEMBL23150903 0.75 ATM (0.44) GABRA5ALDH1A1TDP1L3MBTL1
SCHEMBL21590722 0.75 GABRA1 (0.50) GABRA5ALDH1A1GRIN1GRIN2B
SCHEMBL21590639 0.75 GABRA5 (0.56) GABRA5ALDH1A1TDP1L3MBTL1
SCHEMBL21590776 0.74 POLB (0.44) ALDH1A1TDP1L3MBTL1SMN1; SMN2
SCHEMBL21590757 0.72 MAPT (0.46) ALDH1A1TDP1L3MBTL1
SCHEMBL285552 0.71 GABRA5 (0.55) GABRA5
SCHEMBL5773713 0.70 GABRA5 (0.50) GABRA5ALDH1A1TDP1L3MBTL1
SCHEMBL286512 0.69 GABRA5 (0.49) GABRA5ALDH1A1

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 GABRA5 1/4885ALDH1A1 1215/4885TDP1 4311/4885
US-20210094945-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM GABRA5, GABRB2, GABRB1 GABRA5 1/4885ALDH1A1 1579/4885TDP1 3919/4885

“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.