SCHEMBL31428631

SCHEMBL31428631

CC(=O)N1/C(=C\c2ccc3cc(CN4CCN(C5COC5)CC4)ccc3n2)C(=O)c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
HTT P42858 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
IDO2 Q6ZQW0 1/20 0.38
ALDH3A1 P30838 4/20 0.37
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
ACHE P22303 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
LTA4H P09960 1/20 0.33
TSHR P16473 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL31428480 0.89 ALDH1A1 (0.43) ALDH1A1HTTSMN1; SMN2MAPTMAPK1
SCHEMBL31429031 0.86 MAPT (0.41) ALDH1A1HTTSMN1; SMN2MAPTMAPK1
SCHEMBL30163516 0.86 ALDH1A1 (0.37) ALDH1A1HTTSMN1; SMN2MAPTMAPK1
SCHEMBL31428674 0.85 ALDH1A1 (0.40) ALDH1A1HTTSMN1; SMN2MAPTMAPK1
SCHEMBL31428584 0.85 ALDH1A1 (0.42) ALDH1A1HTTSMN1; SMN2MAPTMAPK1
SCHEMBL24975442 0.81 ALDH1A1 (0.35) ALDH1A1HTTSMN1; SMN2MAPTMAPK1
SCHEMBL31428751 0.81 ALDH1A1 (0.35) ALDH1A1HTTSMN1; SMN2MAPTMAPK1
SCHEMBL31428451 0.80 MAPT (0.49) ALDH1A1HTTSMN1; SMN2MAPTMAPK1
SCHEMBL31428622 0.78 PDCD1 (0.44) ALDH1A1HTTSMN1; SMN2MAPTMAPK1
SCHEMBL31428590 0.78 FKBP1A (0.41) 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.