SCHEMBL196222

SCHEMBL196222

CCCCc1noc(C)c1C=Cc1cc(C=Cc2c(CCCC)noc2C)c(C(=O)OC)cn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCE Q02156 1/20 0.34
PRKCQ Q04759 1/20 0.34
PRKCD Q05655 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 2/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
TP53 P04637 1/20 0.31
GAA P10253 1/20 0.31
AGTR1 P30556 1/20 0.31
APP P05067 1/20 0.31
POLB P06746 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31

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
SCHEMBL195458 0.82 GABRA5 (0.41) KDM4EMAPTMAPK1SMN1; SMN2L3MBTL1
SCHEMBL195457 0.82 GABRA5 (0.41) KDM4EMAPTMAPK1SMN1; SMN2L3MBTL1
SCHEMBL196160 0.79 ALDH1A1 (0.35) PRKCEPRKCQPRKCDKDM4EMAPT
SCHEMBL196201 0.76 KMT2A (0.46) KDM4EHSD17B10SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL2672813 0.74 ALDH1A1 (0.35) MAPTSMN1; SMN2ALDH1A1L3MBTL1LMNA
SCHEMBL14797029 0.74 HCAR3 (0.41) KDM4EMAPTSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL2672809 0.74 ALDH1A1 (0.35) MAPTSMN1; SMN2ALDH1A1L3MBTL1LMNA
SCHEMBL14797027 0.74 HCAR3 (0.41) KDM4EMAPTSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL196305 0.73 GABRA5 (0.46) GABRA1GABRA5
SCHEMBL196306 0.73 GABRA5 (0.46) GABRA1GABRA5

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
EP-2401271-B1 ISOXAZOLE / O-PYRIDINE DERIVATIVES WITH ETHYL AND ETHENYL LINKER AS GABA A ALPHA5 RECEPTOR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2013-03-27 EP disclosed
US-8389550-B2 Isoxazoles / O-pyridines with ethyl and ethenyl linker HOFFMANN-LA ROCHE INC. (US) 2013-03-05 US disclosed
EP-2401271-A1 ISOXAZOLE / O-PYRIDINE DERIVATIVES WITH ETHYL AND ETHENYL LINKER AS GABA A ALPHA5 RECEPTOR INVERSE AGONISTS F. Hoffmann-La Roche AG (CH) 2012-01-04 EP disclosed
WO-2010097368-A1 ISOXAZOLE / O-PYRIDINE DERIVATIVES WITH ETHYL AND ETHENYL LINKER F. HOFFMANN-LA ROCHE AG (CH) 2010-09-02 WO disclosed
US-20100216845-A1 ISOXAZOLES / O-PYRIDINES WITH ETHYL AND ETHENYL LINKER ROCHE PALO ALTO LLC 2010-08-26 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 (1 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-20100216845-A1 ISOXAZOLES / O-PYRIDINES WITH ETHYL AND ETHENYL LINKER GABRA5, GABRA1, GABRA4 PRKCE 1823/4885PRKCQ 2153/4885PRKCD 1499/4885

“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.