SCHEMBL31428618

SCHEMBL31428618

CC(=O)N1/C(=C\c2ccc3cc(/C=C/C(=O)N4CCOCC4)ccc3n2)C(=O)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
MAPT P10636 3/20 0.45
MAPK1 P28482 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 7/20 0.42
HPGD P15428 3/20 0.42
KDM4E B2RXH2 3/20 0.42
MAOB P27338 1/20 0.42
NPC1 O15118 6/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ITGB2 P05107 2/20 0.40
ICAM1 P05362 2/20 0.40
ITGAL P20701 2/20 0.40
POLB P06746 2/20 0.40
TRPV1 Q8NER1 1/20 0.40
CCNC P24863 2/20 0.40
CDK8 P49336 2/20 0.40

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 0.85 HPGD (0.46) ALDH1A1SMN1; SMN2MAPTMAPK1TDP1
SCHEMBL30163522 0.84 RAB9A (0.42) ALDH1A1SMN1; SMN2MAPTMAPK1TDP1
SCHEMBL31428852 0.82 RAB9A (0.42) ALDH1A1SMN1; SMN2MAPTMAPK1TDP1
SCHEMBL30163490 0.82 RAB9A (0.42) ALDH1A1SMN1; SMN2MAPTMAPK1TDP1
SCHEMBL31428590 0.81 FKBP1A (0.41) ALDH1A1SMN1; SMN2MAPTMAPK1TDP1
SCHEMBL31428480 0.81 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MAPTMAPK1TDP1
SCHEMBL31429006 0.80 HPGD (0.47) ALDH1A1SMN1; SMN2MAPTMAPK1TDP1
SCHEMBL30163475 0.78 L3MBTL3 (0.42) ALDH1A1SMN1; SMN2MAPTMAPK1TDP1
SCHEMBL31429062 0.77 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MAPTMAPK1TDP1
SCHEMBL31428532 0.76 RAB9A (0.56) ALDH1A1SMN1; SMN2MAPTMAPK1TDP1

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.