SCHEMBL25814506

SCHEMBL25814506

CCc1c(C)[nH]c2ccc(C(=O)N(I)CCN(CC)CC)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 7/20 0.44
TLR8 Q9NR97 7/20 0.44
TLR7 Q9NYK1 7/20 0.44
KDM4E B2RXH2 6/20 0.42
PSMD14 O00487 1/20 0.42
RECQL P46063 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HCRTR1 O43613 1/20 0.41
HSD17B10 Q99714 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 5/20 0.40
HPGD P15428 4/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
GAA P10253 2/20 0.40
KMT2A Q03164 2/20 0.40
TP53 P04637 1/20 0.40
PTPN5 P54829 1/20 0.40
APEX1 P27695 1/20 0.40

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
SCHEMBL25814985 0.89 TLR9 (0.52) TLR9TLR8TLR7KDM4EPSMD14
SCHEMBL25813335 0.87 TLR8 (0.53) TLR9TLR8TLR7KDM4EPSMD14
SCHEMBL25812069 0.84 CYP19A1 (0.44) TLR9TLR8TLR7KDM4EHCRTR1
SCHEMBL30312310 0.79 TLR8 (0.52) TLR9TLR8TLR7KDM4EHSD17B10
SCHEMBL25811217 0.79 TLR8 (0.52) TLR9TLR8TLR7KDM4EHSD17B10
SCHEMBL25812030 0.76 MEN1 (0.55) KDM4EHSD17B10SMN1; SMN2ALDH1A1MAPT
SCHEMBL25812023 0.76 MEN1 (0.57) KDM4ETDP1HSD17B10SMN1; SMN2ALDH1A1
SCHEMBL25811506 0.76 KDM4E (0.67) KDM4EPSMD14RECQLRXFP1TDP1
SCHEMBL25811844 0.73 TLR9 (0.45) TLR9TLR8TLR7KDM4EHCRTR1
SCHEMBL25811504 0.72 HCRTR1 (0.74) KDM4EHCRTR1HSD17B10SMN1; SMN2ALDH1A1

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-20230218573-A1 INDOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES GALYAN BIO INC (US) 2023-07-13 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-20230218573-A1 INDOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES HTT, HYPK, PARK7 TLR9 4628/4885TLR8 4582/4885TLR7 4556/4885

“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.