SCHEMBL21424014

SCHEMBL21424014

C=C(C)c1ccc(CC(=O)Oc2ccc(C#N)nn2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 5/20 0.38
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
MAOB P27338 1/20 0.33
FFAR1 O14842 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL21424015 0.82 KMT2A (0.37) PANK3
SCHEMBL21423816 0.82 PANK3 (0.40) PANK3
SCHEMBL21424016 0.79 PANK3 (0.39) PANK3MAOB
SCHEMBL21423813 0.71 PANK3 (0.58) PANK3
SCHEMBL24535862 0.70 MAOB (0.40) MAOBFFAR1
SCHEMBL31717392 0.70 PANK3 (0.50) PANK3
SCHEMBL19748933 0.70 PANK3 (0.50) PANK3
SCHEMBL24536009 0.70 PANK3 (0.50) PANK3
SCHEMBL19748934 0.70 PANK3 (0.50) PANK3
SCHEMBL21424024 0.67 LMNA (0.41) PANK3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11547709-B2 Methods of treating disorders associated with castor ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. (US) 2023-01-10 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-11547709-B2 Methods of treating disorders associated with castor HMGCR, GCDH, CYP11A1 PANK3 1573/4885KCNQ3 4285/4885KCNQ2 4135/4885
US-20210246113-A1 SMALL MOLECULE MODULATORS OF PANTOTHENATE KINASES PANK2, PANK1, PANK3 PANK3 3/4885KCNQ3 2243/4885KCNQ2 1940/4885
US-20210023081-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR HMGCR, GCDH, CYP11A1 PANK3 1573/4885KCNQ3 4285/4885KCNQ2 4135/4885
US-20190300499-A1 SMALL MOLECULE MODULATORS OF PANTOTHENATE KINASES PANK2, PANK1, PANK3 PANK3 3/4885KCNQ3 2243/4885KCNQ2 1940/4885

“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.