SCHEMBL29244993

SCHEMBL29244993

COC(=O)c1ccc(CNc2ccc(N(C)C)cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.78
MAPT P10636 4/20 0.78
NPC1 O15118 3/20 0.78
RAB9A P51151 3/20 0.78
L3MBTL1 Q9Y468 1/20 0.78
CA1 P00915 6/20 0.71
CA2 P00918 6/20 0.71
KDM4E B2RXH2 4/20 0.65
HPGD P15428 4/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
GAA P10253 1/20 0.65
TSHR P16473 1/20 0.65
MAPK1 P28482 1/20 0.65
HSD17B10 Q99714 1/20 0.65
CA9 Q16790 1/20 0.56
LMNA P02545 1/20 0.52
SENP1 Q9P0U3 1/20 0.51
POLB P06746 1/20 0.50
HKDC1 Q2TB90 1/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL13934091 0.89 CA1 (0.87) ALDH1A1MAPTNPC1RAB9AL3MBTL1
SCHEMBL5070309 0.87 ALDH1A1 (1.00) ALDH1A1MAPTNPC1RAB9AL3MBTL1
SCHEMBL12051728 0.83 CA1 (1.00) ALDH1A1MAPTNPC1RAB9AL3MBTL1
SCHEMBL17618029 0.83 CA1 (0.77) ALDH1A1MAPTNPC1RAB9AL3MBTL1
SCHEMBL12472851 0.83 ALDH1A1 (0.74) ALDH1A1MAPTNPC1RAB9AL3MBTL1
SCHEMBL64502 0.82 ALDH1A1 (0.72) ALDH1A1MAPTNPC1RAB9ACA1
SCHEMBL856237 0.82 CA1 (0.70) ALDH1A1MAPTNPC1RAB9AL3MBTL1
SCHEMBL15761719 0.82 CA1 (0.75) ALDH1A1MAPTNPC1RAB9AL3MBTL1
SCHEMBL16211427 0.82 CA1 (0.75) ALDH1A1MAPTNPC1RAB9AL3MBTL1
SCHEMBL11240016 0.82 CA1 (0.75) ALDH1A1MAPTNPC1RAB9AL3MBTL1

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-20240398823-A1 DUAL INHIBITOR OF HISTONE DEACETYLASE 6 AND HEAT SHOCK PROTEIN 90 TAIPEI MEDICAL UNIVERSITY (TW) 2024-12-05 US disclosed
CN-118302401-A Dual inhibitors of histone deacetylase 6 and heat shock protein 90 台北医学大学 2024-07-05 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-20240398823-A1 DUAL INHIBITOR OF HISTONE DEACETYLASE 6 AND HEAT SHOCK PROTEIN 90 HSP90AB1, HDAC6, HSP90AB2P ALDH1A1 2299/4885MAPT 1544/4885NPC1 3070/4885

“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.