SCHEMBL31428707

SCHEMBL31428707

CC(=O)N1/C(=C\c2cc(-c3ccc4ccccc4c3)c3cc(C(=O)OC(C)(C)C)ccc3n2)C(=O)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ABCG2 Q9UNQ0 2/20 0.33
CES1 P23141 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
ABCB1 P08183 1/20 0.32
TET2 Q6N021 1/20 0.32
OGFOD1 Q8N543 1/20 0.32
TET1 Q8NFU7 1/20 0.32
EGLN2 Q96KS0 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
HIF1AN Q9NWT6 1/20 0.32
SGK1 O00141 1/20 0.31
ACHE P22303 3/20 0.31

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
SCHEMBL24975443 0.89 ALDH1A1 (0.40) ALDH1A1MAPTMAPK1HTTSMN1; SMN2
SCHEMBL31428736 0.89 ALDH1A1 (0.42) ALDH1A1MAPTMAPK1HTTSMN1; SMN2
SCHEMBL31428946 0.89 MAPT (0.39) ALDH1A1MAPTMAPK1HTTSMN1; SMN2
SCHEMBL31428665 0.85 HTT (0.37) ALDH1A1MAPTMAPK1HTTSMN1; SMN2
SCHEMBL24977060 0.85 HTT (0.37) ALDH1A1MAPTMAPK1HTTSMN1; SMN2
SCHEMBL30163521 0.85 ALDH1A1 (0.45) ALDH1A1MAPTMAPK1HTTSMN1; SMN2
SCHEMBL31428962 0.83 PDCD1 (0.42) ALDH1A1MAPTMAPK1HTTSMN1; SMN2
SCHEMBL24976130 0.83 PDCD1 (0.42) ALDH1A1MEN1KMT2A
SCHEMBL31428977 0.83 PDCD1 (0.42) ALDH1A1MEN1KMT2A
SCHEMBL31428873 0.82 PDCD1 (0.42) ALDH1A1MAPTMAPK1HTTSMN1; SMN2

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 ALDH1A1 2352/4885MAPT 4513/4885MAPK1 140/4885

“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.