SCHEMBL4980741

SCHEMBL4980741

Cc1onc(-c2cccc(F)c2)c1C(=O)c1c[nH]c2cc(C(=O)NC3CC3)ccc12

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 11/20 0.53
MAP4K4 O95819 2/20 0.41
GPBAR1 Q8TDU6 1/20 0.41
MAPK14 Q16539 1/20 0.40
HPGDS O60760 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
DYRK1A Q13627 1/20 0.40

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
SCHEMBL4986426 0.98 GABRA5 (0.51) GABRA5MAP4K4GPBAR1
SCHEMBL4985687 0.98 GABRA5 (0.51) GABRA5MAP4K4GPBAR1
SCHEMBL14188868 0.96 GABRA5 (0.55) GABRA5DYRK1A
SCHEMBL4605464 0.91 GABRA5 (0.50) GABRA5MAPK14
SCHEMBL4604079 0.91 GABRA5 (0.49) GABRA5MAPK14CYP1A2CYP3A4CYP2D6
SCHEMBL4980783 0.89 GABRA5 (0.56) GABRA5
SCHEMBL4605381 0.89 GPBAR1 (0.46) GABRA5GPBAR1CYP1A2CYP3A4CYP2D6
SCHEMBL4606350 0.88 GABRA5 (0.48) GABRA5MAPK14
SCHEMBL4606782 0.88 GABRA5 (0.48) GABRA5MAPK14
SCHEMBL4979623 0.88 GABRA5 (0.49) GABRA5MAPK14CYP1A2CYP3A4CYP2D6

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 1/4885MAP4K4 4082/4885GPBAR1 244/4885

“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.