SCHEMBL31428790

SCHEMBL31428790

COc1cc(C=C2C(=O)c3ccccc3N2C(C)=O)ccc1OCC#N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 12/20 0.52
▸ MAPT P10636 8/20 0.52
▸ SMN1; SMN2 Q16637 5/20 0.52
▸ HTT P42858 2/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ TDP1 Q9NUW8 2/20 0.52
▸ LMNA P02545 6/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ PTGS2 P35354 1/20 0.43
▸ KDM4E B2RXH2 6/20 0.42
▸ GAA P10253 1/20 0.41
▸ ALPL P05186 1/20 0.41
▸ ALPI P09923 1/20 0.41
▸ ALPG P10696 1/20 0.41
▸ CASP3 P42574 2/20 0.41
▸ SENP8 Q96LD8 2/20 0.41
▸ SENP7 Q9BQF6 2/20 0.41
▸ SENP6 Q9GZR1 2/20 0.41
▸ HPGD P15428 1/20 0.41

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
SCHEMBL30163547 0.86 ALDH1A1 (0.53) ALDH1A1MAPTSMN1; SMN2HTTMAPK1
SCHEMBL31429081 0.86 MAPT (0.53) ALDH1A1MAPTSMN1; SMN2HTTMAPK1
SCHEMBL31428963 0.85 MAPT (0.53) ALDH1A1MAPTSMN1; SMN2HTTMAPK1
SCHEMBL30163485 0.85 MAPT (0.53) ALDH1A1MAPTSMN1; SMN2HTTMAPK1
SCHEMBL31428792 0.85 ALDH1A1 (0.53) ALDH1A1MAPTSMN1; SMN2HTTMAPK1
SCHEMBL31428917 0.85 MAPT (0.52) ALDH1A1MAPTSMN1; SMN2HTTMAPK1
SCHEMBL31428961 0.84 MAPT (0.51) ALDH1A1MAPTSMN1; SMN2HTTMAPK1
SCHEMBL31428731 0.82 MAPT (0.55) ALDH1A1MAPTSMN1; SMN2HTTMAPK1
SCHEMBL31428936 0.81 ALDH1A1 (0.59) ALDH1A1MAPTSMN1; SMN2HTTMAPK1
SCHEMBL31428829 0.81 KDM4E (0.58) 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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