SCHEMBL31428751

SCHEMBL31428751

CC(=O)N1/C(=C\c2ccc3cc(CN(C(=O)OC(C)(C)C)C4CCN(C5COC5)CC4)ccc3n2)C(=O)c2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTR2A P28223 1/20 0.34
HSD11B1 P28845 1/20 0.32
NR1H4 Q96RI1 1/20 0.31
F10 P00742 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 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
SCHEMBL24975442 1.00 ALDH1A1 (0.35) ALDH1A1MAPTMAPK1HTTSMN1; SMN2
SCHEMBL31428425 0.87 MAPT (0.37) ALDH1A1MAPTMAPK1HTTSMN1; SMN2
SCHEMBL31428921 0.86 ALDH1A1 (0.37) ALDH1A1MAPTMAPK1HTTSMN1; SMN2
SCHEMBL31429024 0.86 ALDH1A1 (0.37) ALDH1A1MAPTMAPK1HTTSMN1; SMN2
SCHEMBL24976067 0.85 ALDH1A1 (0.35) ALDH1A1MAPTMAPK1HTTSMN1; SMN2
SCHEMBL24977057 0.83 NR1H4 (0.32) HSD11B1NR1H4SLC6A2SLC6A4SLC6A3
SCHEMBL31428540 0.82 HTR2A (0.40) HTR2AHSD11B1NR1H4F10PRSS1
SCHEMBL30163516 0.81 ALDH1A1 (0.37) ALDH1A1MAPTMAPK1HTTSMN1; SMN2
SCHEMBL31428631 0.81 ALDH1A1 (0.39) ALDH1A1MAPTMAPK1HTTSMN1; SMN2
SCHEMBL24976132 0.80 ALDH1A1 (0.34) 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.