SCHEMBL31428534

SCHEMBL31428534

CC(=O)N1/C(=C\c2ccc3cc(CNC4C[C@@H](C)O[C@@H](C)C4)ccc3n2)C(=O)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CES1 P23141 1/20 0.33
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
TSHR P16473 1/20 0.30
CASP1 P29466 1/20 0.30
KMT2A Q03164 1/20 0.30
MCHR1 Q99705 1/20 0.30

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
SCHEMBL31428734 1.00 ALDH1A1 (0.40) ALDH1A1MAPTMAPK1HTTSMN1; SMN2
SCHEMBL31428622 0.88 PDCD1 (0.44) ALDH1A1MAPTMAPK1HTTSMN1; SMN2
SCHEMBL30163516 0.84 ALDH1A1 (0.37) ALDH1A1MAPTMAPK1HTTSMN1; SMN2
SCHEMBL31428667 0.83 MAPT (0.46) ALDH1A1MAPTMAPK1HTTSMN1; SMN2
SCHEMBL31428929 0.81 ALDH1A1 (0.45) ALDH1A1MAPTMAPK1HTTSMN1; SMN2
SCHEMBL31428451 0.81 MAPT (0.49) ALDH1A1MAPTMAPK1HTTSMN1; SMN2
SCHEMBL31428921 0.80 ALDH1A1 (0.37) ALDH1A1MAPTMAPK1HTTSMN1; SMN2
SCHEMBL31429024 0.80 ALDH1A1 (0.37) ALDH1A1MAPTMAPK1HTTSMN1; SMN2
SCHEMBL31428623 0.79 ALDH1A1 (0.42) ALDH1A1MAPTMAPK1HTTSMN1; SMN2
SCHEMBL31428480 0.78 ALDH1A1 (0.43) 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.