SCHEMBL31428617

SCHEMBL31428617

CC(=O)N1/C(=C\c2ccc3cc(C(=O)N4CCCCC4)ccc3n2)C(=O)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 2/20 0.45
MAPK1 P28482 2/20 0.45
HTT P42858 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
GAA P10253 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 10/20 0.41
PLA2G7 Q13093 1/20 0.40
GRIA3 P42263 1/20 0.38
GRIA4 P48058 1/20 0.38
PKM P14618 1/20 0.38
GFER P55789 1/20 0.37
CES1 P23141 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
SCHEMBL31428538 0.91 HPGD (0.46) ALDH1A1SMN1; SMN2MAPTMAPK1HTT
Hydrochloric Acid SCHEMBL31428503 0.90 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MAPTMAPK1HTT
SCHEMBL31428440 0.90 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MAPTMAPK1HTT
SCHEMBL30163546 0.89 MAPT (0.41) ALDH1A1SMN1; SMN2MAPTMAPK1HTT
SCHEMBL30163505 0.88 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MAPTMAPK1HTT
SCHEMBL30163507 0.87 MAPK1 (0.40) ALDH1A1SMN1; SMN2MAPTMAPK1HTT
SCHEMBL31428674 0.87 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2MAPTMAPK1HTT
SCHEMBL31428623 0.86 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2MAPTMAPK1HTT
SCHEMBL31428867 0.86 PKM (0.44) ALDH1A1SMN1; SMN2MAPTMAPK1HTT
SCHEMBL31428528 0.86 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MAPTMAPK1HTT

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 2352/4885SMN1; SMN2 4832/4885MAPT 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.