SCHEMBL22489433

SCHEMBL22489433

O=C(Cc1ccc(C2CC2)c(F)c1)N1CCN(c2ccc(C(F)(F)F)nn2)CC1

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 19/20 0.75
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
Claziprotamide SCHEMBL30451828 0.86 PANK3 (1.00) PANK3
Claziprotamide SCHEMBL22609127 0.86 PANK3 (1.00) PANK3
SCHEMBL26501361 0.86 PANK3 (0.78) PANK3KDM4EALDH1A1GAAHPGD
SCHEMBL22489371 0.85 PANK3 (0.71) PANK3
SCHEMBL22609119 0.83 PANK3 (1.00) PANK3
SCHEMBL22609126 0.82 PANK3 (0.72) PANK3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL22489447 0.75 PANK3 (0.75) PANK3
SCHEMBL23054342 0.75 PANK3 (0.61) PANK3ALDH1A1
SCHEMBL22920478 0.73 PANK3 (1.00) PANK3
SCHEMBL26501363 0.73 PANK3 (0.77) PANK3KDM4EALDH1A1GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220185796-A1 SMALL MOLECULE MODULATORS OF PANK ST. JUDE CHILDREN'S RESEARCH HOSPITAL 2022-06-16 US disclosed
WO-2020198526-A2 SMALL MOLECULE MODULATORS OF PANK ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2020-10-01 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 (1 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-20220185796-A1 SMALL MOLECULE MODULATORS OF PANK PANK2, PANK1, PANK3 PANK3 3/4885KDM4E 2487/4885ALDH1A1 4174/4885

“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.