SCHEMBL19748868

SCHEMBL19748868

CC(C)c1ccc(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 9/20 1.00
MAPT P10636 3/20 0.74
TP53 P04637 2/20 0.74
SMN1; SMN2 Q16637 2/20 0.74
HTT P42858 1/20 0.74
CA12 O43570 2/20 0.68
CA1 P00915 2/20 0.68
CA2 P00918 2/20 0.68
CA9 Q16790 2/20 0.68
ALDH1A1 P00352 1/20 0.65
THRB P10828 1/20 0.65
MAPK1 P28482 1/20 0.65
PTPN11 Q06124 1/20 0.59
TRPV1 Q8NER1 2/20 0.58
LMNA P02545 1/20 0.58
RXFP1 Q9HBX9 1/20 0.58
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57

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
SCHEMBL26501865 0.89 PANK3 (0.80) PANK3MAPTTP53SMN1; SMN2HTT
SCHEMBL13234942 0.89 MAPT (0.79) PANK3MAPTTP53SMN1; SMN2HTT
SCHEMBL22920508 0.86 PANK3 (0.79) PANK3MAPTTP53SMN1; SMN2CA12
SCHEMBL19748641 0.85 PANK3 (1.00) PANK3MAPTTP53SMN1; SMN2CA12
SCHEMBL13234933 0.84 MAPT (0.76) PANK3MAPTSMN1; SMN2HTTCA12
SCHEMBL26502461 0.84 PANK3 (0.84) PANK3MAPTTP53SMN1; SMN2HTT
SCHEMBL10257469 0.81 PANK3 (0.69) PANK3MAPTTP53SMN1; SMN2HTT
SCHEMBL21423865 0.81 PANK3 (0.79) PANK3MAPTTP53SMN1; SMN2CA12
SCHEMBL26501496 0.81 PANK3 (0.79) PANK3MAPTTP53SMN1; SMN2CA12
SCHEMBL31717258 0.80 PANK3 (0.77) PANK3MAPTTP53SMN1; 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 1819/4885TP53 3054/4885
US-11547709-B2 Methods of treating disorders associated with castor HMGCR, GCDH, CYP11A1 PANK3 1573/4885MAPT 1819/4885TP53 3054/4885
US-20210246113-A1 SMALL MOLECULE MODULATORS OF PANTOTHENATE KINASES PANK2, PANK1, PANK3 PANK3 3/4885MAPT 474/4885TP53 1099/4885
US-12552765-B2 Small molecule modulators of pantothenate kinases PANK3, PANK1, PANK2 PANK3 1/4885MAPT 2629/4885TP53 997/4885
US-20210023081-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR HMGCR, GCDH, CYP11A1 PANK3 1573/4885MAPT 1819/4885TP53 3054/4885
US-20190300499-A1 SMALL MOLECULE MODULATORS OF PANTOTHENATE KINASES PANK2, PANK1, PANK3 PANK3 3/4885MAPT 474/4885TP53 1099/4885

“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.