SCHEMBL2673508

SCHEMBL2673508

C/C(=C\C(=O)O)N1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
ALOX12 P18054 1/20 0.47
MAPT P10636 1/20 0.41
HPGD P15428 2/20 0.38
ATM Q13315 1/20 0.34
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL2673510 1.00 ALDH1A1 (0.47) ALDH1A1USP2LMNAALOX12MAPT
SCHEMBL456777 1.00 ALDH1A1 (0.47) ALDH1A1USP2LMNAALOX12MAPT
SCHEMBL21987080 0.98 ALDH1A1 (0.50) ALDH1A1USP2LMNAALOX12MAPT
SCHEMBL21987011 0.98 ALDH1A1 (0.50) ALDH1A1USP2LMNAALOX12MAPT
SCHEMBL10583061 0.83 ALDH1A1 (0.49) ALDH1A1USP2LMNAALOX12MAPT
SCHEMBL22783869 0.83 ALDH1A1 (0.49) ALDH1A1USP2LMNAALOX12MAPT
SCHEMBL10583065 0.83 ALDH1A1 (0.49) ALDH1A1USP2LMNAALOX12MAPT
SCHEMBL21987071 0.80 CHRNB2 (0.45) ALDH1A1USP2LMNAALOX12HPGD
SCHEMBL11407382 0.80 SMN1; SMN2 (0.54) ALDH1A1USP2LMNAMAPTMMP1
SCHEMBL11407379 0.80 SMN1; SMN2 (0.54) ALDH1A1USP2LMNAMAPTMMP1

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 64 patents — showing the first 20. 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 disclosed
US-11840528-B2 Isoxazolyl ether derivatives as GABAA α5 PAM HOFFMANN-LA ROCHE INC. (US) 2023-12-12 US 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
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
EP-2427456-B1 ISOXAZOLE-PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-02-05 EP disclosed
WO-2019238633-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM F. HOFFMANN-LA ROCHE AG (CH) 2019-12-19 WO disclosed
EP-2231651-B1 ISOXAZOLO-PYRIDAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2018-11-21 EP disclosed
EP-2229383-B1 ISOXAZOLO-PYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-01-18 EP disclosed
EP-2227467-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-09-15 EP disclosed
WO-2010094669-A1 ISOXAZOLE-ISOXAZOLE AND ISOXAZOLE-ISOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-08-26 WO disclosed
US-20100216845-A1 ISOXAZOLES / O-PYRIDINES WITH ETHYL AND ETHENYL LINKER ROCHE PALO ALTO LLC 2010-08-26 US disclosed
US-20100210651-A1 ISOXAZOLE-ISOXAZOLES AND ISOXAZOLE-ISOTHIAZOLES ROCHE PALO ALTO LLC 2010-08-19 US disclosed
WO-2009071464-A1 ISOXAZOLO-PYRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-11 WO disclosed
WO-2009071476-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-11 WO disclosed
WO-2009071477-A1 ISOXAZOLO-PYRIDAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-11 WO disclosed
WO-2009073669-A1 ISOXAZOLOPYRIDINE DERIVATIVES FOR USE IN THE TREATMENT OF HIF-MEDIATED CONDITIONS FIBROGEN, INC. (US) 2009-06-11 WO disclosed
US-20090143371-A1 ISOXAZOLE-PYRIDINE DERIVATIVES ROCHE PALO ALTO LLC 2009-06-04 US disclosed
US-20090143385-A1 ISOXAZOLO-PYRIDAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-04 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 (6 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 ALDH1A1 1215/4885USP2 3807/4885LMNA 3204/4885
US-20090143371-A1 ISOXAZOLE-PYRIDINE DERIVATIVES GABRA5, GABRA1, CHRNA5 ALDH1A1 938/4885USP2 3950/4885LMNA 3918/4885
US-20100210651-A1 ISOXAZOLE-ISOXAZOLES AND ISOXAZOLE-ISOTHIAZOLES GABRA5, GABRA1, GABRA4 ALDH1A1 808/4885USP2 4006/4885LMNA 4304/4885
US-20090143385-A1 ISOXAZOLO-PYRIDAZINE DERIVATIVES GABRA5, CHRNA5, GABRA1 ALDH1A1 1301/4885USP2 4433/4885LMNA 2743/4885
US-20210094945-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM GABRA5, GABRB2, GABRB1 ALDH1A1 1579/4885USP2 3012/4885LMNA 2624/4885
US-20100216845-A1 ISOXAZOLES / O-PYRIDINES WITH ETHYL AND ETHENYL LINKER GABRA5, GABRA1, GABRA4 ALDH1A1 307/4885USP2 4097/4885LMNA 3530/4885

“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.