SCHEMBL23453027

SCHEMBL23453027

O=C(O)Cn1cnc2c(NCC(=O)OCc3ccccc3)ncnc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.51
RAB9A P51151 2/20 0.50
HPGD P15428 2/20 0.50
NPC1 O15118 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 2/20 0.49
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 2/20 0.48
TMIGD3 P0DMS9 4/20 0.48
ADORA2A P29274 4/20 0.48
ADORA1 P30542 4/20 0.48
ADORA2B P29275 1/20 0.48
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
KMT2A Q03164 1/20 0.46
GALR3 O60755 1/20 0.45
NR2F2 P24468 1/20 0.45
DAPK1 P53355 1/20 0.44

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
SCHEMBL3130095 0.85 TDP1 (0.48) HTTRAB9AHPGDNPC1SMN1; SMN2
SCHEMBL27967736 0.83 RAB9A (0.70) HTTRAB9AHPGDNPC1SMN1; SMN2
SCHEMBL23453066 0.81 TDP1 (0.43) HTTRAB9AHPGDNPC1SMN1; SMN2
SCHEMBL23453050 0.79 TDP1 (0.40) HTTTDP1HDAC1HDAC2TMIGD3
SCHEMBL23453030 0.78 TK1 (0.46) HTTRAB9ASMN1; SMN2KMT2AMAPK1
SCHEMBL1404491 0.77 DAPK1 (0.72) HTTHPGDADORA2APDE4APDE4B
SCHEMBL23453058 0.77 HDAC1 (0.41) HTTTDP1HDAC1HDAC2TMIGD3
SCHEMBL7906492 0.77 PDE4A (0.49) HTTRAB9AHPGDNPC1SMN1; SMN2
SCHEMBL27967584 0.77 TMIGD3 (0.65) HTTRAB9AHPGDNPC1SMN1; SMN2
SCHEMBL24709730 0.77 EGFR (0.65) HTTRAB9AHPGDNPC1ADORA2A

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-20210163541-A1 Method for Preparing PNA Oligomer SEASUNBIO MATERIALS (KR) 2021-06-03 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-20210163541-A1 Method for Preparing PNA Oligomer NCL, NOD1, POLI HTT 723/4885RAB9A 4156/4885HPGD 3831/4885

“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.