SCHEMBL16597407

SCHEMBL16597407

CCOC(=O)c1c[nH]c2cc(F)cc(F)c12

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 3/20 0.47
▸ GABRB2 P47870 3/20 0.47
▸ JAK3 P52333 3/20 0.46
▸ JAK2 O60674 2/20 0.46
▸ GABRB1 P18505 2/20 0.46
▸ GABRA3 P34903 2/20 0.46
▸ TSHR P16473 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42

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
SCHEMBL25069375 0.91 GABRA1 (0.53) GABRA1GABRB2GABRB1GABRA3MEN1
SCHEMBL23731297 0.80 GABRA1 (0.51) GABRA1GABRB2JAK3JAK2GABRB1
SCHEMBL25069322 0.78 GABRA1 (0.54) GABRA1GABRB2GABRB1GABRA3MEN1
SCHEMBL29027116 0.78 GABRA1 (0.51) GABRA1GABRB2JAK3JAK2GABRB1
SCHEMBL29550066 0.78 GABRA1 (0.51) GABRA1GABRB2JAK3JAK2GABRB1
SCHEMBL22864631 0.77 NR4A2 (0.54) GABRA1GABRB2GABRB1GABRA3TSHR
SCHEMBL29800593 0.77 NR4A2 (0.54) GABRA1GABRB2GABRB1GABRA3TSHR
SCHEMBL13325448 0.76 CES2 (0.38) ALDH1A1HSD17B10CYP3A4
SCHEMBL8911574 0.75 CYP1A2 (0.49) GABRA1GABRB2JAK3JAK2GABRB1
SCHEMBL23147875 0.74 HPGD (0.49) TSHRMEN1ALDH1A1TP53HPGD

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
CN-105593211-B Indole and indazole derivatives 豪夫迈·罗氏有限公司 2021-07-27 — — CN disclosed
EP-3049391-B1 INDOLE AND INDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2018-12-26 — — EP disclosed
US-9708259-B2 Indol and indazol derivatives HOFFMANN-LA ROCHE INC. (US) 2017-07-18 — — US disclosed
EP-3049391-A1 INDOL AND INDAZOL DERIVATIVES F. Hoffmann-La Roche AG (CH) 2016-08-03 — — EP disclosed
US-20160207885-A1 INDOL AND INDAZOL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-07-21 — — US disclosed
WO-2015044072-A1 INDOL AND INDAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2015-04-02 — — WO 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-20160207885-A1 INDOL AND INDAZOL DERIVATIVES CHRNA7, CHRM1, CHRNA3 GABRA1 815/4885GABRB2 1127/4885JAK3 1514/4885

“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.

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