SCHEMBL22017128

SCHEMBL22017128

CC(C)(C)c1nc2ccccc2cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
MAPT P10636 4/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 2/20 0.43
GLA P06280 1/20 0.43
ACHE P22303 1/20 0.43
BACE1 P56817 2/20 0.41
SLC22A12 Q96S37 1/20 0.40
ACP1 P24666 1/20 0.39
CNR2 P34972 1/20 0.39
KDM4E B2RXH2 4/20 0.39
TDP1 Q9NUW8 2/20 0.38
STAT3 P40763 1/20 0.38
POLB P06746 2/20 0.37
MEN1 O00255 1/20 0.37
PABPC1 P11940 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP3A4 P08684 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
KHK P50053 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
SCHEMBL8701501 0.87 MAPT (0.48) GAAMAPTALDH1A1HPGDGLA
SCHEMBL29893012 0.87 MAPT (0.48) GAAMAPTALDH1A1HPGDGLA
SCHEMBL12132906 0.87 ALDH1A1 (0.48) GAAMAPTALDH1A1HPGDGLA
SCHEMBL13335964 0.86 GAA (0.44) GAAMAPTALDH1A1HPGDGLA
SCHEMBL25584384 0.79 ALDH1A1 (0.41) GAAMAPTALDH1A1HPGDGLA
SCHEMBL16144462 0.78 ALDH1A1 (0.46) GAAMAPTALDH1A1HPGDGLA
SCHEMBL25322076 0.74 BACE1 (0.51) GAAMAPTALDH1A1HPGDGLA
SCHEMBL14549728 0.74 ALDH1A1 (0.46) GAAMAPTALDH1A1HPGDGLA
SCHEMBL12228877 0.74 ALDH1A1 (0.47) GAAMAPTALDH1A1HPGDGLA
SCHEMBL1646678 0.74 ALDH1A1 (0.58) GAAMAPTALDH1A1HPGDGLA

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-20230041518-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2023-02-09 US disclosed
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS GILEAD SCIENCES, INC. 2022-04-21 US disclosed
US-11174256-B2 Imidazopyridine derivatives GILEAD SCIENCES, INC. (US) 2021-11-16 US disclosed
US-11116760-B2 Quinoline derivatives GILEAD SCIENCES, INC. (US) 2021-09-14 US disclosed
US-20200165248-A1 IMIDAZOPYRIDINE DERIVATIVES GILEAD SCIENCES, INC. 2020-05-28 US disclosed
US-20200155538-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2020-05-21 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 (6 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-20230041518-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 GAA 252/4885MAPT 949/4885ALDH1A1 476/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 GAA 252/4885MAPT 949/4885ALDH1A1 476/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B GAA 923/4885MAPT 2929/4885ALDH1A1 838/4885
US-11174256-B2 Imidazopyridine derivatives TPMT, IRAK4, CFTR GAA 216/4885MAPT 1337/4885ALDH1A1 193/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 GAA 252/4885MAPT 949/4885ALDH1A1 476/4885
US-20200165248-A1 IMIDAZOPYRIDINE DERIVATIVES TPMT, IRAK4, CFTR GAA 216/4885MAPT 1337/4885ALDH1A1 193/4885

“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.