SCHEMBL31429013

SCHEMBL31429013

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
HTT P42858 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CES1 P23141 2/20 0.41
PDE10A Q9Y233 1/20 0.37
CYSLTR1 Q9Y271 2/20 0.35
CYSLTR2 Q9NS75 1/20 0.35
ALB P02768 1/20 0.32
DYRK1A Q13627 1/20 0.32
NR1H3 Q13133 1/20 0.32
SCN9A Q15858 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
CASP3 P42574 1/20 0.32
HRH3 Q9Y5N1 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
SCHEMBL30163520 0.84 MAPT (0.54) ALDH1A1MAPTHTTSMN1; SMN2MAPK1
SCHEMBL31428670 0.84 MAPT (0.54) ALDH1A1MAPTHTTSMN1; SMN2MAPK1
SCHEMBL31428528 0.84 ALDH1A1 (0.50) ALDH1A1MAPTHTTSMN1; SMN2MAPK1
SCHEMBL31428451 0.83 MAPT (0.49) ALDH1A1MAPTHTTSMN1; SMN2MAPK1
SCHEMBL31428667 0.80 MAPT (0.46) ALDH1A1MAPTHTTSMN1; SMN2MAPK1
SCHEMBL30163486 0.79 ALDH1A1 (0.45) ALDH1A1MAPTHTTSMN1; SMN2MAPK1
SCHEMBL30163521 0.79 ALDH1A1 (0.45) ALDH1A1MAPTHTTSMN1; SMN2MAPK1
SCHEMBL31428617 0.78 ALDH1A1 (0.45) ALDH1A1MAPTHTTSMN1; SMN2MAPK1
SCHEMBL31428929 0.78 ALDH1A1 (0.45) ALDH1A1MAPTHTTSMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL31428503 0.78 ALDH1A1 (0.43) ALDH1A1MAPTHTTSMN1; SMN2MAPK1

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 4513/4885HTT 4442/4885

“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.