SCHEMBL23748365

SCHEMBL23748365

CC(C)CC(=O)Nc1ccc(-c2nc3ccc(Cl)cc3o2)cc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.84
▸ ALDH1A1 P00352 5/20 0.68
▸ NPC1 O15118 5/20 0.68
▸ RAB9A P51151 5/20 0.68
▸ HPGD P15428 4/20 0.68
▸ HSD17B10 Q99714 4/20 0.68
▸ SMN1; SMN2 Q16637 4/20 0.68
▸ KDM4E B2RXH2 3/20 0.68
▸ MAPK1 P28482 2/20 0.68
▸ TP53 P04637 2/20 0.62
▸ SENP7 Q9BQF6 4/20 0.61
▸ USP2 O75604 1/20 0.59
▸ POLB P06746 2/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ SENP8 Q96LD8 1/20 0.58
▸ SENP6 Q9GZR1 1/20 0.58
▸ MEN1 O00255 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ PARP3 Q9Y6F1 1/20 0.57
▸ CETP P11597 5/20 0.56

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
SCHEMBL30789024 1.00 CASP3 (0.84) CASP3ALDH1A1NPC1RAB9AHPGD
SCHEMBL30789006 0.99 CASP3 (0.82) CASP3ALDH1A1NPC1RAB9AHPGD
SCHEMBL23748388 0.99 CASP3 (0.82) CASP3ALDH1A1NPC1RAB9AHPGD
SCHEMBL24454913 0.85 NPC1 (0.72) CASP3ALDH1A1NPC1RAB9AHPGD
SCHEMBL2249425 0.85 CASP3 (0.83) CASP3ALDH1A1NPC1RAB9AHPGD
SCHEMBL24106598 0.84 CASP3 (0.81) CASP3ALDH1A1NPC1RAB9AHPGD
SCHEMBL30965448 0.84 CASP3 (0.81) CASP3ALDH1A1NPC1RAB9AHPGD
SCHEMBL29188114 0.84 CASP3 (0.61) CASP3ALDH1A1NPC1RAB9AHPGD
SCHEMBL2247759 0.83 RAB9A (0.81) CASP3ALDH1A1NPC1RAB9AHPGD
SCHEMBL2249417 0.79 KDM4E (0.69) CASP3ALDH1A1NPC1RAB9AHPGD

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113195084-B Benzoxazoles and related compounds useful as modulators of chaperone mediated autophagy 阿尔伯爱因斯坦医学院 2024-04-09 — — CN claimed
EP-3863755-A1 BENZOXAZOLE AND RELATED COMPOUNDS USEFUL AS CHAPERONE-MEDIATED AUTOPHAGY MODULATORS Albert Einstein College of Medicine (US) 2021-08-18 — — EP claimed
CN-113195084-A Benzoxazoles and related compounds useful as modulators of molecular chaperone-mediated autophagy 阿尔伯爱因斯坦医学院 2021-07-30 — — CN claimed
CN-113195084-B Benzoxazoles and related compounds useful as modulators of chaperone mediated autophagy 阿尔伯爱因斯坦医学院 2024-04-09 — — CN disclosed
WO-2023018801-A1 COMPOSITIONS AND METHODS OF ENRICHING HEMATOPOIETIC STEM CELL POPULATIONS AND METHODS OF USE THEREOF ALBERT EINSTEIN COLLEGE OF MEDICINE (US) 2023-02-16 — — WO disclosed
US-20210387953-A1 BENZOXAZOLE AND RELATED COMPOUNDS USEFUL AS CHAPERONE-MEDIATED AUTOPHAGY MODULATORS ALBERT EINSTEIN COLLEGE OF MEDICINE 2021-12-16 — — US disclosed
CN-113195084-A Benzoxazoles and related compounds useful as modulators of molecular chaperone-mediated autophagy 阿尔伯爱因斯坦医学院 2021-07-30 — — 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-20210387953-A1 BENZOXAZOLE AND RELATED COMPOUNDS USEFUL AS CHAPERONE-MEDIATED AUTOPHAGY MODULATORS CLPX, SQSTM1, ATG7 CASP3 2371/4885ALDH1A1 2447/4885NPC1 807/4885

“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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