SCHEMBL21406322

SCHEMBL21406322

CC(C)c1ccc(CC(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc1

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 16/20 0.77
KDM4E B2RXH2 1/20 0.62
ALDH1A1 P00352 1/20 0.62
GAA P10253 1/20 0.62
HPGD P15428 1/20 0.62
CASP1 P29466 1/20 0.62
CASP7 P55210 1/20 0.62
HSD17B10 Q99714 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
FKBP1A P62942 1/20 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
SCHEMBL26501598 0.88 PANK3 (0.80) PANK3
SCHEMBL19748456 0.87 PANK3 (1.00) PANK3
SCHEMBL26501319 0.87 PANK3 (0.79) PANK3
SCHEMBL19748158 0.83 PANK3 (1.00) PANK3
SCHEMBL21406134 0.83 PANK3 (0.72) PANK3
SCHEMBL31717532 0.83 PANK3 (0.72) PANK3
SCHEMBL29761311 0.83 PANK3 (1.00) PANK3
SCHEMBL26501471 0.79 PANK3 (0.73) PANK3KDM4E
SCHEMBL21423846 0.78 PANK3 (0.72) PANK3KDM4E
SCHEMBL26501643 0.78 PANK3 (0.81) PANK3KDM4EHPGDHSD17B10L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12552765-B2 Small molecule modulators of pantothenate kinases ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. 2026-02-17 US disclosed
US-20230321092-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. 2023-10-12 US disclosed
US-20230321092-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. 2023-10-12 US disclosed
US-11547709-B2 Methods of treating disorders associated with castor ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. (US) 2023-01-10 US disclosed
WO-2022133034-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. (US) 2022-06-23 WO disclosed
US-20210246113-A1 SMALL MOLECULE MODULATORS OF PANTOTHENATE KINASES ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. 2021-08-12 US disclosed
US-20210246113-A1 SMALL MOLECULE MODULATORS OF PANTOTHENATE KINASES ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. 2021-08-12 US disclosed
US-20210023081-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. 2021-01-28 US disclosed
US-20190300499-A1 SMALL MOLECULE MODULATORS OF PANTOTHENATE KINASES ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2019-10-03 US disclosed
US-20190300499-A1 SMALL MOLECULE MODULATORS OF PANTOTHENATE KINASES ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2019-10-03 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 (6 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-20230321092-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR HMGCR, GCDH, CYP11A1 PANK3 1573/4885KDM4E 1116/4885ALDH1A1 715/4885
US-11547709-B2 Methods of treating disorders associated with castor HMGCR, GCDH, CYP11A1 PANK3 1573/4885KDM4E 1116/4885ALDH1A1 715/4885
US-20210246113-A1 SMALL MOLECULE MODULATORS OF PANTOTHENATE KINASES PANK2, PANK1, PANK3 PANK3 3/4885KDM4E 2299/4885ALDH1A1 4262/4885
US-12552765-B2 Small molecule modulators of pantothenate kinases PANK3, PANK1, PANK2 PANK3 1/4885KDM4E 2249/4885ALDH1A1 3497/4885
US-20210023081-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR HMGCR, GCDH, CYP11A1 PANK3 1573/4885KDM4E 1116/4885ALDH1A1 715/4885
US-20190300499-A1 SMALL MOLECULE MODULATORS OF PANTOTHENATE KINASES PANK2, PANK1, PANK3 PANK3 3/4885KDM4E 2299/4885ALDH1A1 4262/4885

“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.