SCHEMBL31428693

SCHEMBL31428693

CC(=O)N1/C(=C\c2cc(-c3cccc(-c4ccccc4)c3)c3cc(CN(C(=O)OC(C)(C)C)C4CCOCC4)ccc3n2)C(=O)c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
EZH2 Q15910 1/20 0.31
HSD11B1 P28845 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
PIK3CA P42336 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
SCHEMBL31428533 0.94 CREBBP (0.33) MAPK1
SCHEMBL24976105 0.94 CREBBP (0.33) MAPK1
SCHEMBL24976132 0.94 ALDH1A1 (0.34) ALDH1A1MAPTMAPK1HTTSMN1; SMN2
SCHEMBL31428785 0.91 PDE9A (0.34) ALDH1A1MAPTMAPK1HTTSMN1; SMN2
SCHEMBL31428765 0.89 ALDH1A1 (0.32) ALDH1A1MAPTMAPK1HTTSMN1; SMN2
SCHEMBL24975829 0.88 MAPK1 (0.32) MAPK1HSD11B1NR1H4
SCHEMBL31428620 0.88 MAPK1 (0.32) MAPK1HSD11B1NR1H4
SCHEMBL31428691 0.86 UCHL1 (0.35) HSD11B1
SCHEMBL24975804 0.85 GRM2 (0.35) EZH2HSD11B1NR1H4
SCHEMBL31428746 0.85 GRM2 (0.35) EZH2HSD11B1NR1H4

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.