SCHEMBL31452046

SCHEMBL31452046

C=CCOCC(c1ccc([C@H](C)N)cc1)N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TACR1 P25103 2/20 0.39
▸ GLS O94925 1/20 0.37
▸ TGM2 P21980 4/20 0.36
▸ F13A1 P00488 3/20 0.36
▸ TGM1 P22735 3/20 0.36
▸ ATM Q13315 2/20 0.36
▸ ABCB1 P08183 1/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ CYP3A5 P20815 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ CHRM4 P08173 1/20 0.35

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
SCHEMBL31452085 0.85 HTT (0.43) HTTALDH1A1MAPTNPC1MAPK1
SCHEMBL31452074 0.85 MAPT (0.40) HTTALDH1A1MAPTNPC1MAPK1
SCHEMBL31452022 0.84 HTT (0.41) HTTALDH1A1MAPTNPC1MAPK1
SCHEMBL28637939 0.82 ALDH1A1 (0.47) HTTALDH1A1MAPTNPC1MAPK1
SCHEMBL30274613 0.82 ALDH1A1 (0.47) HTTALDH1A1MAPTNPC1MAPK1
SCHEMBL20289588 0.82 ALDH1A1 (0.47) HTTALDH1A1MAPTNPC1MAPK1
SCHEMBL24170423 0.82 ALDH1A1 (0.46) HTTALDH1A1MAPTNPC1MAPK1
SCHEMBL20289582 0.82 MAPT (0.46) HTTALDH1A1MAPTNPC1MAPK1
SCHEMBL24170057 0.81 ALDH1A1 (0.46) HTTALDH1A1MAPTNPC1MAPK1
SCHEMBL20289589 0.79 ALDH1A1 (0.49) HTTALDH1A1MAPTNPC1MAPK1

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-20250049809-A1 INHIBITORS OF MUTANT IDH1 AND IDH2 BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2025-02-13 — — 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-20250049809-A1 INHIBITORS OF MUTANT IDH1 AND IDH2 IDH1, IDH2, IDH3A HTT 38/4885ALDH1A1 709/4885MAPT 2534/4885

“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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