SCHEMBL24975281

SCHEMBL24975281

CC(=O)N(CCC#N)c1ccc(-c2ccc(C(=O)NCc3cccnc3)cn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 2/20 0.49
▸ LMNA P02545 4/20 0.48
▸ ALDH1A1 P00352 4/20 0.46
▸ HTT P42858 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ MAPT P10636 1/20 0.45
▸ GAA P10253 2/20 0.45
▸ TSHR P16473 1/20 0.44
▸ NAMPT P43490 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ MMP13 P45452 1/20 0.43
▸ TRPV1 Q8NER1 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ HPGD P15428 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
SCHEMBL29801120 1.00 HPGDS (0.49) HPGDSLMNAALDH1A1HTTMAPK1
SCHEMBL24975115 0.88 TRPV1 (0.53) HPGDSLMNAALDH1A1HTTMAPK1
SCHEMBL29801436 0.88 TRPV1 (0.53) HPGDSLMNAALDH1A1HTTMAPK1
SCHEMBL24975468 0.88 LMNA (0.43) HPGDSLMNAALDH1A1HTTMAPK1
SCHEMBL29801098 0.86 HPGDS (0.49) HPGDSLMNAALDH1A1HTTMAPK1
SCHEMBL29801077 0.86 HPGDS (0.49) HPGDSLMNAALDH1A1HTTMAPK1
SCHEMBL24975282 0.86 HPGDS (0.49) HPGDSLMNAALDH1A1HTTMAPK1
SCHEMBL24975159 0.86 HPGDS (0.49) HPGDSLMNAALDH1A1HTTMAPK1
SCHEMBL24975307 0.85 GAA (0.48) HPGDSLMNAALDH1A1HTTMAPK1
SCHEMBL29854321 0.85 GAA (0.48) HPGDSLMNAALDH1A1HTTMAPK1

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 2 patents. 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
CN-114929672-A Cancer therapy targeting cancer stem cells 治疗方案股份有限公司 2022-08-19 — — CN 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 HPGDS 95/4885LMNA 2667/4885ALDH1A1 23/4885

“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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