Sugi Predict

Sugi Predict / Compounds / SCHEMBL196160

SCHEMBL196160

SCHEMBL196160

CCCCc1noc(C)c1C=Cc1ccc(C(=O)OC)c(C=Cc2c(CCCC)noc2C)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.35
▸ L3MBTL1 Q9Y468 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ GABRP O00591 1/20 0.34
▸ GABRD O14764 1/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ GABRB1 P18505 1/20 0.34
▸ GABRG2 P18507 1/20 0.34
▸ GABRB3 P28472 1/20 0.34
▸ GABRA5 P31644 1/20 0.34
▸ GABRA3 P34903 1/20 0.34
▸ GABRA2 P47869 1/20 0.34
▸ GABRB2 P47870 1/20 0.34
▸ GABRA4 P48169 1/20 0.34
▸ GABRE P78334 1/20 0.34
▸ GABRA6 Q16445 1/20 0.34
▸ GABRG1 Q8N1C3 1/20 0.34
▸ GABRG3 Q99928 1/20 0.34

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
SCHEMBL195457 0.82 GABRA5 (0.41) L3MBTL1MAPTGABRA5MAPK1SMN1; SMN2
SCHEMBL195458 0.82 GABRA5 (0.41) L3MBTL1MAPTGABRA5MAPK1SMN1; SMN2
SCHEMBL196222 0.79 PRKCE (0.34) ALDH1A1L3MBTL1MAPTLMNAHTT
SCHEMBL196378 0.76 ALDH1A1 (0.46) ALDH1A1MAPTLMNAGABRA5TP53
SCHEMBL14797029 0.73 HCAR3 (0.41) ALDH1A1L3MBTL1MAPTLMNAGABRP
SCHEMBL2672813 0.73 ALDH1A1 (0.35) ALDH1A1L3MBTL1MAPTLMNAHTT
SCHEMBL2672809 0.73 ALDH1A1 (0.35) ALDH1A1L3MBTL1MAPTLMNAHTT
SCHEMBL14797027 0.73 HCAR3 (0.41) ALDH1A1L3MBTL1MAPTLMNAGABRP
SCHEMBL285901 0.73 POLB (0.42) ALDH1A1L3MBTL1MAPTLMNAHTT
SCHEMBL285902 0.73 POLB (0.42) ALDH1A1L3MBTL1MAPTLMNAHTT

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 ALDH1A1 307/4885L3MBTL1 4327/4885MAPT 2216/4885

“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.