SCHEMBL30096041

SCHEMBL30096041

Cc1ccc(-c2cc(C)on2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.42
HPGDS O60760 1/20 0.40
PTGS2 P35354 2/20 0.39
POLB P06746 2/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PI4KA P42356 1/20 0.36
PIK3CG P48736 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
L3MBTL1 Q9Y468 1/20 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
SCHEMBL12460245 1.00 RAB9A (0.46) RAB9ANPC1KDM4EALDH1A1HPGDS
SCHEMBL12460422 0.82 RAB9A (0.44) RAB9ANPC1KDM4EALDH1A1POLB
SCHEMBL30685984 0.80 KCNH2 (0.47) RAB9ANPC1KDM4EHDAC1HDAC6
SCHEMBL12369767 0.80 CYP2E1 (0.44) RAB9ANPC1POLBCASP3SENP8
SCHEMBL30343249 0.78 PTGS2 (0.46) RAB9ANPC1KDM4EALDH1A1PTGS2
SCHEMBL2309187 0.76 CYP2A6 (0.59) RAB9ANPC1KDM4EALDH1A1POLB
SCHEMBL12112412 0.76 RAB9A (0.66) RAB9ANPC1KDM4EALDH1A1CASP3
SCHEMBL4588205 0.75 RAB9A (0.50) RAB9ANPC1KDM4EALDH1A1POLB
SCHEMBL21431472 0.74 S1PR1 (0.44) RAB9ANPC1KDM4EALDH1A1POLB
SCHEMBL2301990 0.73 RAB9A (0.57) RAB9ANPC1KDM4EPOLBL3MBTL1

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
CN-117285525-A Novel isoxazolyl ether derivatives as GABAA alpha 5PAM 豪夫迈·罗氏有限公司 2023-12-26 CN claimed
US-20240279218-A1 ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM HOFFMANN-LA ROCHE INC. (US) 2024-08-22 US disclosed
CN-117285525-A Novel isoxazolyl ether derivatives as GABAA alpha 5PAM 豪夫迈·罗氏有限公司 2023-12-26 CN disclosed
CN-109923113-B Isoxazolyl ether derivatives as GABA A alpha 5 PAM 豪夫迈·罗氏有限公司 2023-10-13 CN disclosed
US-20220411415-A1 ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM HOFFMANN-LA ROCHE INC. (US) 2022-12-29 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 (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-20220411415-A1 ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM GABRA5, GABRB1, GABRA1 RAB9A 1461/4885NPC1 2771/4885KDM4E 899/4885
US-20240279218-A1 ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM GABRA5, GABRB1, GABRA1 RAB9A 1461/4885NPC1 2771/4885KDM4E 899/4885

“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.