SCHEMBL25813788

SCHEMBL25813788

CN(C)CCNC(=O)c1ccc2c(c1)c1c(n2I)CCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
THRB P10828 1/20 0.48
RORC P51449 2/20 0.48
TP53 P04637 2/20 0.48
PARP1 P09874 3/20 0.46
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 4/20 0.42
CASP1 P29466 2/20 0.42
NAMPT P43490 1/20 0.41
TGFBR1 P36897 1/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TOP2A P11388 1/20 0.41
KMT2A Q03164 3/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 2/20 0.41
GLA P06280 1/20 0.41
CASP7 P55210 1/20 0.41

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
SCHEMBL25813769 0.75 TLR9 (0.48) MAPTHTTSMN1; SMN2ALDH1A1NAMPT
SCHEMBL25815123 0.74 KMT2A (0.61) MAPTPARP1SMN1; SMN2ALDH1A1HPGD
SCHEMBL25811779 0.74 KMT2A (0.58) MAPTRORCPARP1ALDH1A1HPGD
SCHEMBL25811214 0.74 TP53 (0.75) MAPTTP53PARP1SMN1; SMN2ALDH1A1
SCHEMBL25811762 0.73 KMT2A (0.62) MAPTPARP1ALDH1A1HPGDKMT2A
SCHEMBL25811219 0.72 TP53 (0.71) MAPTTP53PARP1SMN1; SMN2ALDH1A1
SCHEMBL25812597 0.72 KMT2A (0.58) MAPTRORCPARP1ALDH1A1HPGD
SCHEMBL25811754 0.72 KMT2A (0.61) MAPTPARP1ALDH1A1HPGDKMT2A
SCHEMBL25936813 0.71 ALOX5 (0.52) MAPTRORCKDM4EHSD17B10KMT2A
SCHEMBL30312302 0.71 MAPT (0.65) MAPTALDH1A1KDM4EHPGDHSD17B10

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 MAPT 18/4885THRB 2088/4885RORC 3495/4885

“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.