SCHEMBL19748679

SCHEMBL19748679

CC(C)c1ccc(NC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 9/20 1.00
MAPT P10636 6/20 0.76
ALDH1A1 P00352 3/20 0.76
SMN1; SMN2 Q16637 3/20 0.76
TP53 P04637 2/20 0.76
THRB P10828 1/20 0.76
MAPK1 P28482 1/20 0.76
CA12 O43570 3/20 0.72
CA1 P00915 3/20 0.72
CA2 P00918 3/20 0.72
CA9 Q16790 3/20 0.72
POLB P06746 1/20 0.71
GLA P06280 1/20 0.70
NPC1 O15118 2/20 0.64
RAB9A P51151 2/20 0.64
RECQL P46063 1/20 0.64

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
SCHEMBL6632925 0.89 CA12 (0.89) PANK3MAPTALDH1A1SMN1; SMN2CA12
SCHEMBL21423865 0.88 PANK3 (0.79) PANK3MAPTALDH1A1SMN1; SMN2TP53
SCHEMBL26501496 0.88 PANK3 (0.79) PANK3MAPTALDH1A1SMN1; SMN2TP53
SCHEMBL22920508 0.88 PANK3 (0.79) PANK3MAPTALDH1A1SMN1; SMN2TP53
SCHEMBL31717258 0.87 PANK3 (0.77) PANK3MAPTALDH1A1SMN1; SMN2TP53
SCHEMBL19748656 0.86 PANK3 (1.00) PANK3MAPTALDH1A1SMN1; SMN2TP53
SCHEMBL26758590 0.85 CA12 (0.78) PANK3MAPTALDH1A1SMN1; SMN2TP53
SCHEMBL21406098 0.84 PANK3 (1.00) PANK3MAPTALDH1A1SMN1; SMN2TP53
SCHEMBL26501867 0.84 PANK3 (0.82) PANK3MAPTALDH1A1SMN1; SMN2TP53
SCHEMBL22581791 0.84 CA12 (1.00) PANK3MAPTALDH1A1SMN1; SMN2CA12

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 11 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-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
EP-3474667-A1 SMALL MOLECULE MODULATORS OF PANTOTHENATE KINASES St. Jude Children's Research Hospital, Inc. (US) 2019-05-01 EP disclosed
WO-2017223474-A1 SMALL MOLECULE MODULATORS OF PANTOTHENATE KINASES ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2017-12-28 WO 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 1573/4885MAPT 1819/4885ALDH1A1 715/4885
US-11547709-B2 Methods of treating disorders associated with castor HMGCR, GCDH, CYP11A1 PANK3 1573/4885MAPT 1819/4885ALDH1A1 715/4885
US-20210246113-A1 SMALL MOLECULE MODULATORS OF PANTOTHENATE KINASES PANK2, PANK1, PANK3 PANK3 3/4885MAPT 474/4885ALDH1A1 4262/4885
US-12552765-B2 Small molecule modulators of pantothenate kinases PANK3, PANK1, PANK2 PANK3 1/4885MAPT 2629/4885ALDH1A1 3497/4885
US-20210023081-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR HMGCR, GCDH, CYP11A1 PANK3 1573/4885MAPT 1819/4885ALDH1A1 715/4885
US-20190300499-A1 SMALL MOLECULE MODULATORS OF PANTOTHENATE KINASES PANK2, PANK1, PANK3 PANK3 3/4885MAPT 474/4885ALDH1A1 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.