SCHEMBL31428451

SCHEMBL31428451

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
ALDH1A1 P00352 2/20 0.49
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CES1 P23141 3/20 0.41
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
CTRB1 P17538 1/20 0.32
NOTUM Q6P988 1/20 0.32
CHEK1 O14757 1/20 0.31
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
IDO2 Q6ZQW0 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
CASP1 P29466 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
SCHEMBL31428667 0.88 MAPT (0.46) MAPTALDH1A1HTTSMN1; SMN2MAPK1
SCHEMBL31428929 0.87 ALDH1A1 (0.45) MAPTALDH1A1HTTSMN1; SMN2MAPK1
SCHEMBL31428670 0.85 MAPT (0.54) MAPTALDH1A1HTTSMN1; SMN2MAPK1
SCHEMBL30163520 0.85 MAPT (0.54) MAPTALDH1A1HTTSMN1; SMN2MAPK1
SCHEMBL31428528 0.84 ALDH1A1 (0.50) MAPTALDH1A1HTTSMN1; SMN2MAPK1
SCHEMBL31428480 0.84 ALDH1A1 (0.43) MAPTALDH1A1HTTSMN1; SMN2MAPK1
SCHEMBL31428584 0.84 ALDH1A1 (0.42) MAPTALDH1A1HTTSMN1; SMN2MAPK1
SCHEMBL30163486 0.84 ALDH1A1 (0.45) MAPTALDH1A1HTTSMN1; SMN2MAPK1
SCHEMBL31429013 0.83 ALDH1A1 (0.48) MAPTALDH1A1HTTSMN1; SMN2MAPK1
SCHEMBL31428590 0.82 FKBP1A (0.41) MAPTALDH1A1HTTSMN1; 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 MAPT 4513/4885ALDH1A1 2352/4885HTT 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.