SCHEMBL4604378

SCHEMBL4604378

Cc1onc(-c2ccc(F)cc2)c1C(=O)c1c[nH]c2cc(C(=O)NCC3CC3)ccc12

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 10/20 0.53
NPSR1 Q6W5P4 1/20 0.43
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
GABRA1 P14867 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPK14 Q16539 2/20 0.41

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
SCHEMBL4604097 0.92 NPSR1 (0.53) GABRA5NPSR1MEN1ALDH1A1LMNA
SCHEMBL4980783 0.91 GABRA5 (0.56) GABRA5NPSR1GABRA1ALDH1A1LMNA
SCHEMBL4605464 0.88 GABRA5 (0.50) GABRA5KDM4EMEN1ALDH1A1LMNA
SCHEMBL14188857 0.88 CYP1A2 (0.45) GABRA5HDAC4HDAC6KDM4EMEN1
SCHEMBL4604077 0.87 CYP1A2 (0.40) GABRA5KDM4EMEN1ALDH1A1LMNA
SCHEMBL4606350 0.86 GABRA5 (0.48) GABRA5HDAC4HDAC6KDM4EMEN1
SCHEMBL4606782 0.86 GABRA5 (0.48) GABRA5HDAC4KDM4EMEN1ALDH1A1
SCHEMBL14188853 0.85 GABRA5 (0.52) GABRA5GABRA1
SCHEMBL14188850 0.85 ROCK2 (0.43) ROCK2ROCK1ALDH1A1KMT2AMAPK14
SCHEMBL14215650 0.84 CYP1A2 (0.39) GABRA5KDM4EMEN1ALDH1A1LMNA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937674-A1 ISOXAZOLE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-07-02 EP claimed
US-7378435-B2 Aryl-isoxazole-4-carbonyl-indole-carboxylic acid amide derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-27 US claimed
WO-2007042420-A1 ISOXAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-04-19 WO claimed
US-20070082936-A1 Aryl-isoxazole-4-carbonyl-indole-carboxylic acid amide derivatives HOFFMANN-LA ROCHE INC. 2007-04-12 US claimed
EP-1937674-A1 ISOXAZOLE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-07-02 EP disclosed
US-7378435-B2 Aryl-isoxazole-4-carbonyl-indole-carboxylic acid amide derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-27 US disclosed
WO-2007042420-A1 ISOXAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-04-19 WO disclosed
US-20070082936-A1 Aryl-isoxazole-4-carbonyl-indole-carboxylic acid amide derivatives HOFFMANN-LA ROCHE INC. 2007-04-12 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-20070082936-A1 Aryl-isoxazole-4-carbonyl-indole-carboxylic acid amide derivatives GABRA5, GABRA4, CHRNA5 GABRA5 1/4885NPSR1 188/4885ROCK2 3502/4885

“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.