SCHEMBL31428829

SCHEMBL31428829

COc1cc(C=C2C(=O)c3ccccc3N2C(C)=O)ccc1OCC(=O)N1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.58
▸ ALDH1A1 P00352 5/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ MAPT P10636 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ TSHR P16473 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ APP P05067 3/20 0.44
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ ATM Q13315 1/20 0.42

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
SCHEMBL30163514 0.92 ALDH1A1 (0.60) KDM4EALDH1A1SMN1; SMN2TDP1MAPT
SCHEMBL30163547 0.87 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2TDP1MAPTMAPK1
SCHEMBL30163485 0.86 MAPT (0.53) KDM4EALDH1A1SMN1; SMN2TDP1MAPT
SCHEMBL30163501 0.83 ALDH1A1 (0.58) KDM4EALDH1A1SMN1; SMN2MAPTMAPK1
SCHEMBL31429081 0.83 MAPT (0.53) KDM4EALDH1A1SMN1; SMN2TDP1MAPT
SCHEMBL31428961 0.83 MAPT (0.51) KDM4EALDH1A1SMN1; SMN2TDP1MAPT
SCHEMBL31428724 0.82 FKBP1A (0.53) KDM4EALDH1A1SMN1; SMN2TDP1MAPT
SCHEMBL31428963 0.82 MAPT (0.53) KDM4EALDH1A1SMN1; SMN2TDP1MAPT
SCHEMBL31428792 0.82 ALDH1A1 (0.53) KDM4EALDH1A1SMN1; SMN2TDP1MAPT
SCHEMBL31428936 0.82 ALDH1A1 (0.59) KDM4EALDH1A1SMN1; SMN2TDP1MAPT

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 KDM4E 2663/4885ALDH1A1 2352/4885SMN1; 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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