SCHEMBL31428665

SCHEMBL31428665

CC(=O)N1/C(=C\c2cc(-c3cccc4cccnc34)c3cc(C(=O)OC(C)(C)C)ccc3n2)C(=O)c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
FABP1 P07148 3/20 0.35
ABCG2 Q9UNQ0 2/20 0.34
ABCB1 P08183 1/20 0.34
CNR1 P21554 3/20 0.33
CNR2 P34972 1/20 0.33
MMP9 P14780 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32
CES1 P23141 1/20 0.32
ALOX15 P16050 1/20 0.32
HDAC6 Q9UBN7 2/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 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
SCHEMBL24977060 1.00 HTT (0.37) HTTALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL31428946 0.90 MAPT (0.39) HTTALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL31428874 0.90 ALDH1A1 (0.41) HTTALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL24975443 0.87 ALDH1A1 (0.40) HTTALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL31428880 0.86 ALDH1A1 (0.43) HTTALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL31428707 0.85 ALDH1A1 (0.38) HTTALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL31428889 0.83 PDCD1 (0.41) HTTALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL24975471 0.82 ALOX15 (0.39) HTTALDH1A1MAPTABCG2ABCB1
SCHEMBL31428735 0.82 ALOX15 (0.39) HTTALDH1A1MAPTABCG2ABCB1
SCHEMBL30163521 0.81 ALDH1A1 (0.45) HTTALDH1A1MAPTMAPK1SMN1; 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 HTT 4442/4885ALDH1A1 2352/4885MAPT 4513/4885

“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.