SCHEMBL25543365

SCHEMBL25543365

CC(C)CC(c1ccc([C@H](C)N)cc1)N1CCCN(C(=O)OC(C)(C)C)CCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ MAPT P10636 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HPGD P15428 1/20 0.39
▸ CKS1B P61024 1/20 0.38
▸ SKP1 P63208 1/20 0.38
▸ SKP2 Q13309 1/20 0.38
▸ DPP4 P27487 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ RIN1 Q13671 1/20 0.38
▸ CTSS P25774 1/20 0.37
▸ CTSK P43235 1/20 0.37
▸ ATM Q13315 2/20 0.36
▸ GPR119 Q8TDV5 1/20 0.36

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
SCHEMBL20289582 0.93 MAPT (0.46) MEN1KMT2AMAPTHTTNPC1
SCHEMBL25543361 0.90 MEN1 (0.44) MEN1KMT2AMAPTHTTNPC1
SCHEMBL25543359 0.86 NPC1 (0.45) MEN1KMT2AMAPTHTTNPC1
SCHEMBL25538870 0.83 HTT (0.37) MEN1KMT2AMAPTHTTNPC1
SCHEMBL30274613 0.82 ALDH1A1 (0.47) MEN1KMT2AMAPTHTTNPC1
SCHEMBL28637939 0.82 ALDH1A1 (0.47) MEN1KMT2AMAPTHTTNPC1
SCHEMBL20289588 0.82 ALDH1A1 (0.47) MEN1KMT2AMAPTHTTNPC1
SCHEMBL22591158 0.82 HTT (0.45) MEN1KMT2AMAPTHTTNPC1
SCHEMBL24170423 0.81 ALDH1A1 (0.46) MEN1KMT2AMAPTHTTNPC1
SCHEMBL24170057 0.81 ALDH1A1 (0.46) MEN1KMT2AMAPTHTTNPC1

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-20230174550-A1 IDH MUTANT INHIBITOR AND USE THEREOF Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2023-06-08 — — 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-20230174550-A1 IDH MUTANT INHIBITOR AND USE THEREOF IDH1, IDH3A, IDH3B MEN1 1178/4885KMT2A 335/4885MAPT 2754/4885

“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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