SCHEMBL22920552

SCHEMBL22920552

CC(C)c1ccc(NC(=O)N2CC=C(c3ccc(C#N)cn3)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 10/20 0.62
NAMPT P43490 7/20 0.54
TRPV1 Q8NER1 3/20 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
SCHEMBL21424078 0.83 PANK3 (0.62) PANK3NAMPTTRPV1
SCHEMBL19748764 0.83 PANK3 (0.62) PANK3NAMPT
SCHEMBL13203001 0.81 PANK3 (0.59) PANK3NAMPTTRPV1
SCHEMBL12489502 0.78 CHRM1 (0.52) NAMPT
SCHEMBL19747977 0.77 PANK3 (1.00) PANK3
SCHEMBL21406301 0.74 PANK3 (0.92) PANK3
SCHEMBL29980676 0.74 GRM1 (0.53) NAMPT
SCHEMBL12686706 0.74 GRM1 (0.53) NAMPT
SCHEMBL6764626 0.73 TRPV1 (0.60) PANK3TRPV1
SCHEMBL6764530 0.73 NAMPT (0.54) PANK3NAMPTTRPV1

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 3 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

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

For each of this compound's patents that has machine-readable text (3 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 1573/4885NAMPT 574/4885TRPV1 4795/4885
US-20210246113-A1 SMALL MOLECULE MODULATORS OF PANTOTHENATE KINASES PANK2, PANK1, PANK3 PANK3 3/4885NAMPT 17/4885TRPV1 1386/4885
US-20210023081-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR HMGCR, GCDH, CYP11A1 PANK3 1573/4885NAMPT 574/4885TRPV1 4795/4885

“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.