SCHEMBL24975307

SCHEMBL24975307

COC(=O)NCCN(C(C)=O)c1ccc(-c2ccc(C(=O)NCc3cccnc3)cn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.48
▸ HPGDS O60760 2/20 0.48
▸ LMNA P02545 5/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ TSHR P16473 2/20 0.46
▸ HTT P42858 3/20 0.46
▸ CYP1A2 P05177 2/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ BLM P54132 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ CYP2C19 P33261 1/20 0.44
▸ MMP13 P45452 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ NAMPT P43490 1/20 0.43
▸ GFER P55789 1/20 0.43

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
SCHEMBL29854321 1.00 GAA (0.48) GAAHPGDSLMNAMAPK1ALDH1A1
SCHEMBL24975269 0.92 CYP3A4 (0.49) GAAHPGDSLMNAMAPK1ALDH1A1
SCHEMBL29801436 0.87 TRPV1 (0.53) GAAHPGDSLMNAMAPK1ALDH1A1
SCHEMBL24975115 0.87 TRPV1 (0.53) GAAHPGDSLMNAMAPK1ALDH1A1
SCHEMBL24975134 0.86 NAMPT (0.53) GAAHPGDSLMNAMAPK1ALDH1A1
SCHEMBL24975281 0.85 HPGDS (0.49) GAAHPGDSLMNAMAPK1ALDH1A1
SCHEMBL29801098 0.85 HPGDS (0.49) GAAHPGDSLMNAMAPK1ALDH1A1
SCHEMBL24975282 0.85 HPGDS (0.49) GAAHPGDSLMNAMAPK1ALDH1A1
SCHEMBL24975159 0.85 HPGDS (0.49) GAAHPGDSLMNAMAPK1ALDH1A1
SCHEMBL29801120 0.85 HPGDS (0.49) GAAHPGDSLMNAMAPK1ALDH1A1

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-20230023124-A1 CANCER TREATMENTS TARGETING CANCER STEM CELLS REMEDY PLAN, INC. (US) 2023-01-26 — — 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-20230023124-A1 CANCER TREATMENTS TARGETING CANCER STEM CELLS MCL1, KIT, GLI1 GAA 590/4885HPGDS 95/4885LMNA 2667/4885

“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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