SCHEMBL25814985

SCHEMBL25814985

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 10/20 0.52
TLR8 Q9NR97 10/20 0.52
TLR7 Q9NYK1 10/20 0.52
HTR1F P30939 1/20 0.46
HTR7 P34969 2/20 0.44
HTR6 P50406 2/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
HTR2B P41595 1/20 0.44
KDM4E B2RXH2 2/20 0.43
PSMD14 O00487 1/20 0.43
RECQL P46063 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTR1A P08908 1/20 0.43
SLC6A2 P23975 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1E P28566 1/20 0.43
HTR5A P47898 1/20 0.43

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
SCHEMBL25814506 0.89 TLR9 (0.44) TLR9TLR8TLR7HTR1FKDM4E
SCHEMBL25811844 0.83 TLR9 (0.45) TLR9TLR8TLR7HTR7HTR6
SCHEMBL25811207 0.79 TLR8 (0.64) TLR9TLR8TLR7HTR1FKDM4E
SCHEMBL25814990 0.79 TLR9 (0.46) TLR9TLR8TLR7HTR1FHTR7
SCHEMBL25813335 0.79 TLR8 (0.53) TLR9TLR8TLR7HTR1FKDM4E
SCHEMBL25811506 0.76 KDM4E (0.67) KDM4EPSMD14RECQLRXFP1TDP1
SCHEMBL25814053 0.74 TLR9 (0.46) TLR9TLR8TLR7KDM4EPSMD14
SCHEMBL25813827 0.74 KDM4E (0.58) TLR9TLR8TLR7KDM4EHCRTR1
SCHEMBL25811504 0.73 HCRTR1 (0.74) KDM4EHCRTR1SMN1; SMN2HSD17B10MAPT
SCHEMBL25812069 0.73 CYP19A1 (0.44) TLR9TLR8TLR7KDM4EHCRTR1

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.