SCHEMBL31429062

SCHEMBL31429062

CC(=O)N1/C(=C\c2ccc3oc(C(=O)N4CCOCC4)cc3n2)C(=O)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RAB9A P51151 3/20 0.40
HPGD P15428 2/20 0.37
KDM4E B2RXH2 2/20 0.37
TP53 P04637 1/20 0.37
PIK3CA P42336 1/20 0.37
PLAUR Q03405 1/20 0.36
NPC1 O15118 2/20 0.36
LMNA P02545 2/20 0.36
APAF1 O14727 1/20 0.36
CES1 P23141 1/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL31429006 0.84 HPGD (0.47) ALDH1A1HTTSMN1; SMN2MAPTMAPK1
SCHEMBL31428538 0.83 HPGD (0.46) ALDH1A1HTTSMN1; SMN2MAPTMAPK1
SCHEMBL31429038 0.82 SMN1; SMN2 (0.45) ALDH1A1HTTSMN1; SMN2MAPTMAPK1
SCHEMBL31428704 0.81 ALDH1A1 (0.52) ALDH1A1HTTSMN1; SMN2MAPTMAPK1
SCHEMBL31428847 0.79 PLAUR (0.42) ALDH1A1HTTSMN1; SMN2MAPTMAPK1
SCHEMBL31428590 0.78 FKBP1A (0.41) ALDH1A1HTTSMN1; SMN2MAPTMAPK1
SCHEMBL31428524 0.78 ALDH1A1 (0.47) ALDH1A1HTTSMN1; SMN2MAPTMAPK1
SCHEMBL31428782 0.78 PDCD1 (0.49) ALDH1A1HTTSMN1; SMN2MAPTMAPK1
SCHEMBL31428480 0.78 ALDH1A1 (0.43) ALDH1A1HTTSMN1; SMN2MAPTMAPK1
SCHEMBL30163475 0.77 L3MBTL3 (0.42) ALDH1A1HTTSMN1; SMN2MAPTMAPK1

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 2352/4885HTT 4442/4885SMN1; SMN2 4832/4885

“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.