SCHEMBL21590776

SCHEMBL21590776

Cc1onc(-c2ncc(Cl)cc2F)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
KMT2A Q03164 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GPBAR1 Q8TDU6 6/20 0.40
LMNA P02545 3/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
ATM Q13315 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL6069479 0.87 MAPT (0.44) POLBALDH1A1MAPTNPSR1L3MBTL1
SCHEMBL21590757 0.83 MAPT (0.46) POLBALDH1A1MAPTKMT2ANPSR1
SCHEMBL16333679 0.80 GPBAR1 (0.53) POLBALDH1A1MAPTKMT2AGPBAR1
SCHEMBL6069585 0.76 GAA (0.52) POLBALDH1A1MAPTKMT2AL3MBTL1
SCHEMBL23150903 0.76 ATM (0.44) POLBALDH1A1MAPTKMT2ANPSR1
SCHEMBL21590689 0.76 GABRA5 (0.39) ALDH1A1L3MBTL1TDP1SMN1; SMN2
SCHEMBL16333224 0.76 GABRA5 (0.57) POLBALDH1A1MAPTNPSR1L3MBTL1
SCHEMBL6069249 0.76 NPC1 (0.46) POLBALDH1A1MAPTKMT2AL3MBTL1
SCHEMBL21590956 0.74 GABRA5 (0.38) ALDH1A1L3MBTL1TDP1SMN1; SMN2
SCHEMBL3985525 0.74 KMT2A (0.54) KMT2AGPBAR1GAAMEN1HTT

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 POLB 3851/4885ALDH1A1 1215/4885MAPT 2899/4885
US-20210094945-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM GABRA5, GABRB2, GABRB1 POLB 4267/4885ALDH1A1 1579/4885MAPT 1965/4885

“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.