SCHEMBL31428729

SCHEMBL31428729

CCOc1cc(C=C2C(=O)c3ccccc3N2C(C)=O)ccc1OCC(N)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.54
▸ MAPT P10636 5/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ HTT P42858 2/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ GAA P10253 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ ATM Q13315 1/20 0.46
▸ HPGD P15428 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ LMNA P02545 2/20 0.43
▸ TNF P01375 1/20 0.42
▸ DVL1 O14640 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MGAM O43451 1/20 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
SCHEMBL30163485 0.91 MAPT (0.53) ALDH1A1MAPTSMN1; SMN2HTTMAPK1
SCHEMBL31428779 0.89 ALDH1A1 (0.50) ALDH1A1MAPTSMN1; SMN2HTTMAPK1
SCHEMBL31428668 0.88 ALDH1A1 (0.53) ALDH1A1MAPTSMN1; SMN2HTTMAPK1
SCHEMBL31428740 0.87 ALDH1A1 (0.53) ALDH1A1MAPTSMN1; SMN2HTTMAPK1
SCHEMBL31428526 0.87 ALDH1A1 (0.53) ALDH1A1MAPTSMN1; SMN2HTTMAPK1
SCHEMBL31428705 0.83 ALDH1A1 (0.61) ALDH1A1MAPTSMN1; SMN2HTTMAPK1
SCHEMBL30163547 0.82 ALDH1A1 (0.53) ALDH1A1MAPTSMN1; SMN2HTTMAPK1
SCHEMBL31429004 0.82 MAPT (0.53) ALDH1A1MAPTSMN1; SMN2HTTMAPK1
SCHEMBL31428956 0.81 KMT2A (0.52) ALDH1A1MAPTSMN1; SMN2GAAKMT2A
SCHEMBL31428577 0.81 ALDH1A1 (0.50) ALDH1A1MAPTSMN1; SMN2HTTMAPK1

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 4513/4885SMN1; 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.

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