SCHEMBL21406433

SCHEMBL21406433

CC(C)c1ccc(NC(=O)C2CCN(c3ccc(C#N)nn3)CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 7/20 0.71
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
MAPT P10636 5/20 0.53
LMNA P02545 4/20 0.53
TP53 P04637 3/20 0.50
RIPK1 Q13546 1/20 0.49
POLB P06746 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
ALDH1A1 P00352 1/20 0.48
OGA O60502 1/20 0.47

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
SCHEMBL21406020 0.88 PANK3 (0.57) PANK3MAPTLMNATP53RIPK1
SCHEMBL26501555 0.86 KMT2A (0.59) PANK3KMT2AMEN1MAPTLMNA
SCHEMBL19748277 0.83 PANK3 (1.00) PANK3
SCHEMBL19748833 0.83 PANK3 (0.64) PANK3TP53SMN1; SMN2
SCHEMBL19748831 0.83 PANK3 (0.64) PANK3TP53SMN1; SMN2
SCHEMBL21424077 0.80 PANK3 (0.66) PANK3MAPTTP53POLBSMN1; SMN2
SCHEMBL22920519 0.80 PANK3 (0.92) PANK3
SCHEMBL32675218 0.79 PANK3 (0.59) PANK3RIPK1
SCHEMBL22920505 0.79 PANK3 (0.52) PANK3KMT2AMEN1MAPTLMNA
SCHEMBL21423740 0.79 PANK3 (0.59) PANK3RIPK1

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 9 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

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 1573/4885KMT2A 1296/4885MEN1 2263/4885
US-11547709-B2 Methods of treating disorders associated with castor HMGCR, GCDH, CYP11A1 PANK3 1573/4885KMT2A 1296/4885MEN1 2263/4885
US-20210246113-A1 SMALL MOLECULE MODULATORS OF PANTOTHENATE KINASES PANK2, PANK1, PANK3 PANK3 3/4885KMT2A 1775/4885MEN1 2888/4885
US-12552765-B2 Small molecule modulators of pantothenate kinases PANK3, PANK1, PANK2 PANK3 1/4885KMT2A 3030/4885MEN1 2917/4885
US-20210023081-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR HMGCR, GCDH, CYP11A1 PANK3 1573/4885KMT2A 1296/4885MEN1 2263/4885
US-20190300499-A1 SMALL MOLECULE MODULATORS OF PANTOTHENATE KINASES PANK2, PANK1, PANK3 PANK3 3/4885KMT2A 1775/4885MEN1 2888/4885

“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.