SCHEMBL4606782

SCHEMBL4606782

Cc1onc(-c2ccc(F)cc2)c1C(=O)c1c[nH]c2cc(C(=O)NC3CCCC3)ccc12

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 8/20 0.48
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPK14 Q16539 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
HDAC4 P56524 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 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
SCHEMBL4606350 0.98 GABRA5 (0.48) GABRA5KMT2AALDH1A1NPC1RAB9A
SCHEMBL4605464 0.97 GABRA5 (0.50) GABRA5KMT2AALDH1A1MAPK14KDM4E
SCHEMBL14188853 0.94 GABRA5 (0.52) GABRA5
SCHEMBL4979623 0.92 GABRA5 (0.49) GABRA5KMT2AALDH1A1TDP1MAPK14
SCHEMBL4985687 0.91 GABRA5 (0.51) GABRA5KMT2AALDH1A1
SCHEMBL4604140 0.90 GABRA5 (0.49) GABRA5KMT2AALDH1A1TDP1MAPK14
SCHEMBL4986426 0.90 GABRA5 (0.51) GABRA5KMT2AALDH1A1
SCHEMBL4604079 0.89 GABRA5 (0.49) GABRA5KMT2AALDH1A1TDP1MAPK14
SCHEMBL4980741 0.88 GABRA5 (0.53) GABRA5MAPK14
SCHEMBL4604378 0.86 GABRA5 (0.53) GABRA5KMT2AALDH1A1MAPK14KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101277952-A Isoxazole derivatives HOFFMANN LA ROCHE (CH) 2008-10-01 CN claimed
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
CN-101277952-A Isoxazole derivatives HOFFMANN LA ROCHE (CH) 2008-10-01 CN disclosed
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
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
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
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 1/4885KMT2A 2147/4885ALDH1A1 297/4885

“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.