SCHEMBL26501672

SCHEMBL26501672

Cc1ccc(CC(=O)Cc2ccc(C(C)C(F)(F)F)cc2)nn1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 2/20 0.43
DEGS1 O15121 1/20 0.34
GLS O94925 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
RORC P51449 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CNR2 P34972 2/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
PDE2A O00408 1/20 0.31
CACNA1G O43497 1/20 0.31
CACNA1H O95180 1/20 0.31
KCNH2 Q12809 1/20 0.31
CACNA1I Q9P0X4 1/20 0.31
TLR7 Q9NYK1 1/20 0.30

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
SCHEMBL26501518 0.85 CNR2 (0.38) PANK3CNR2CACNA1GCACNA1HCACNA1I
SCHEMBL26501668 0.84 GLS (0.33) GLSHTTTDP1L3MBTL1CNR2
SCHEMBL26501676 0.82 PANK3 (0.39) PANK3GLSHTTTDP1L3MBTL1
SCHEMBL26501671 0.81 CNR2 (0.33) PANK3GLSHTTTDP1L3MBTL1
SCHEMBL26501674 0.81 TAAR1 (0.36) GLSHTTKEAP1NFE2L2
SCHEMBL26501697 0.80 RORC (0.41) PANK3DEGS1HTTRORCKDM4E
SCHEMBL26501714 0.77 PANK3 (0.36) PANK3DEGS1TLR7
SCHEMBL26501667 0.77 NR1H4 (0.40) ALDH1A1CACNA1H
SCHEMBL26501512 0.73 ESR1 (0.37) DEGS1KDM4EALDH1A1KEAP1NFE2L2
SCHEMBL26501559 0.73 RAB9A (0.35) TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230321092-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. 2023-10-12 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 (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-20230321092-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR HMGCR, GCDH, CYP11A1 PANK3 1573/4885DEGS1 2553/4885GLS 57/4885

“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.