SCHEMBL31428634

SCHEMBL31428634

CC(C)(C)OC(=O)c1ccc2nc(C=O)cc(-c3cccc4ccccc34)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.43
ABCB1 P08183 1/20 0.43
SLC7A5 Q01650 1/20 0.38
PPARG P37231 5/20 0.37
PPARA Q07869 5/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PPARD Q03181 1/20 0.37
HDAC8 Q9BY41 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
TP53 P04637 2/20 0.35

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
SCHEMBL24975470 1.00 ABCG2 (0.43) ABCG2ABCB1SLC7A5PPARGPPARA
SCHEMBL24977054 0.88 ABCG2 (0.47) ABCG2ABCB1SLC7A5HDAC8MEN1
SCHEMBL31428706 0.88 ABCG2 (0.47) ABCG2ABCB1SLC7A5HDAC8MEN1
SCHEMBL31428735 0.86 ALOX15 (0.39) ABCG2ABCB1SLC7A5HDAC8MEN1
SCHEMBL24975471 0.86 ALOX15 (0.39) ABCG2ABCB1SLC7A5HDAC8MEN1
SCHEMBL24976140 0.86 TP53 (0.46) ABCG2ABCB1SLC7A5PPARGPPARA
SCHEMBL31429000 0.86 TP53 (0.46) ABCG2ABCB1SLC7A5PPARGPPARA
SCHEMBL24975481 0.85 ABCG2 (0.43) ABCG2ABCB1SLC7A5MEN1KMT2A
SCHEMBL31428970 0.85 ABCG2 (0.43) ABCG2ABCB1SLC7A5MEN1KMT2A
SCHEMBL24975467 0.85 ABCG2 (0.45) ABCG2ABCB1SLC7A5MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250091994-A1 RAS/RAF BINDING INHIBITOR COMPOUND NATIONAL UNIVERSITY CORPORATION KOBE UNIVERSITY (JP) 2025-03-20 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-20250091994-A1 RAS/RAF BINDING INHIBITOR COMPOUND BRAF, RAF1, NRAS ABCG2 334/4885ABCB1 665/4885SLC7A5 3861/4885

“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.