SCHEMBL4981559

SCHEMBL4981559

CC(C)c1onc(-c2cccc(F)c2)c1C(=O)c1c[nH]c2cc(C(=O)NC3CCCC3)ccc12

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 5/20 0.46
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
MAP4K4 O95819 2/20 0.40
DYRK1A Q13627 2/20 0.39
MAP3K5 Q99683 1/20 0.38
GRM5 P41594 1/20 0.38
HPGDS O60760 1/20 0.38
MAPK14 Q16539 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
ROCK2 O75116 1/20 0.37

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
SCHEMBL14188874 0.94 GABRA5 (0.49) GABRA5MAP4K4DYRK1A
SCHEMBL4985687 0.90 GABRA5 (0.51) GABRA5ALDH1A1KMT2AMAP4K4GRM5
SCHEMBL4986426 0.88 GABRA5 (0.51) GABRA5ALDH1A1KMT2AMAP4K4GRM5
SCHEMBL4980741 0.87 GABRA5 (0.53) GABRA5MAP4K4DYRK1AHPGDSMAPK14
SCHEMBL4981882 0.87 GABRA5 (0.50) GABRA5NR1H4ROCK2
SCHEMBL4605073 0.87 NR1H4 (0.45) GABRA5NR1H4
SCHEMBL4603415 0.85 GABRA5 (0.44) GABRA5NR1H4
SCHEMBL4981274 0.84 NR1H4 (0.40) GABRA5MAP4K4NR1H4ROCK2
SCHEMBL14188868 0.84 GABRA5 (0.55) GABRA5DYRK1A
SCHEMBL14188870 0.81 HPGD (0.47) ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7378435-B2 Aryl-isoxazole-4-carbonyl-indole-carboxylic acid amide derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-27 US disclosed
US-7378435-B2 Aryl-isoxazole-4-carbonyl-indole-carboxylic acid amide derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-27 US disclosed
US-7378435-B2 Aryl-isoxazole-4-carbonyl-indole-carboxylic acid amide derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-27 US disclosed
US-20070082936-A1 Aryl-isoxazole-4-carbonyl-indole-carboxylic acid amide derivatives HOFFMANN-LA ROCHE INC. 2007-04-12 US disclosed
US-20070082936-A1 Aryl-isoxazole-4-carbonyl-indole-carboxylic acid amide derivatives HOFFMANN-LA ROCHE INC. 2007-04-12 US 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 1/4885ALDH1A1 297/4885KMT2A 2147/4885

“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.