SCHEMBL29625898

SCHEMBL29625898

NCCCNc1ccc2c(n1)nc(NCCCN)c1ccccc12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 12/20 0.44
HRH3 Q9Y5N1 1/20 0.43
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
IDO1 P14902 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PRKCB P05771 1/20 0.38
PRKCA P17252 1/20 0.38
PRKCH P24723 1/20 0.38
PRKCE Q02156 1/20 0.38
PRKCQ Q04759 1/20 0.38
PRKCD Q05655 1/20 0.38

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
SCHEMBL12198652 0.74 HRH3 (0.56) HRH3IRAK4MEN1ALDH1A1HPGD
SCHEMBL29445680 0.74 HRH3 (0.56) HRH3IRAK4MEN1ALDH1A1HPGD
SCHEMBL16019054 0.70 HRH3 (0.50) HRH3IRAK4MEN1ALDH1A1HPGD
SCHEMBL5943488 0.69 NCF1 (0.52) HRH3IRAK4MEN1ALDH1A1HPGD
SCHEMBL11734758 0.69 CASP6 (0.62) SYKROCK2ROCK1ALDH1A1KMT2A
SCHEMBL16019055 0.68 TLR8 (0.51) HRH3IRAK4MEN1ALDH1A1HPGD
SCHEMBL30125146 0.68 APP (0.67) SYKROCK2ROCK1MEN1KMT2A
SCHEMBL8354796 0.65 NCF1 (0.50) HRH3HPGDHSD17B10
SCHEMBL6327167 0.65 PRMT5 (0.51) MEN1ALDH1A1KMT2A
SCHEMBL7628718 0.64 POLB (0.70) HRH3ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230054976-A1 METHODS FOR INHIBITION OF ALPHA-SYNUCLEIN mRNA USING SMALL MOLECULES UNIVERSITY OF FLORIDA BOARD OF TRUSTEES 2023-02-23 US disclosed
WO-2021127367-A9 METHODS FOR INHIBITION OF ALPHA-SYNUCLEIN mRNA USING SMALL MOLECULES THE SCRIPPS RESEARCH INSTITUTE (US) 2022-03-17 WO 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-20230054976-A1 METHODS FOR INHIBITION OF ALPHA-SYNUCLEIN mRNA USING SMALL MOLECULES SNCA, EIF2AK2, LRRK2 SYK 4568/4885HRH3 2941/4885ROCK2 1568/4885

“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.