SCHEMBL25811810

SCHEMBL25811810

CCc1c(C)[nH]c2ccc(C(=O)N(C)CCN3CCOCC3)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 4/20 0.48
TLR8 Q9NR97 4/20 0.48
TLR7 Q9NYK1 4/20 0.48
HSD17B10 Q99714 3/20 0.44
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 4/20 0.43
PPARG P37231 1/20 0.42
NR2E3 Q9Y5X4 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CHRM3 P20309 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALOX12 P18054 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PIK3CD O00329 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
CASP1 P29466 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
SCHEMBL25814053 0.91 TLR9 (0.46) TLR9TLR8TLR7HSD17B10ALDH1A1
SCHEMBL25815082 0.90 TLR9 (0.46) TLR9TLR8TLR7HSD17B10ALDH1A1
SCHEMBL25811995 0.90 KMT2A (0.49) TLR9TLR8TLR7HSD17B10ALDH1A1
SCHEMBL25814483 0.89 ALDH1A1 (0.53) ALDH1A1KDM4EL3MBTL1CHRM3MEN1
SCHEMBL25811806 0.86 KMT2A (0.43) TLR9TLR8TLR7ALDH1A1KDM4E
SCHEMBL25811270 0.81 POLB (0.61) TLR9TLR8TLR7HSD17B10ALDH1A1
SCHEMBL25811720 0.79 KDR (0.49) HSD17B10ALDH1A1KDM4EL3MBTL1MEN1
SCHEMBL25811801 0.79 KMT2A (0.61) HSD17B10ALDH1A1KDM4EL3MBTL1MEN1
SCHEMBL25811987 0.79 KMT2A (0.58) HSD17B10ALDH1A1KDM4EL3MBTL1MEN1
SCHEMBL25813335 0.79 TLR8 (0.53) TLR9TLR8TLR7HSD17B10ALDH1A1

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.