SCHEMBL23453030

SCHEMBL23453030

O=C(O)Cn1cnc2c(=O)[nH]c(NCC(=O)OCc3ccccc3)nc21

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TK1 P04183 1/20 0.46
PNP P00491 1/20 0.44
TSHR P16473 3/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
HTT P42858 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL3139870 0.86 MEN1 (0.48) TK1PNPTSHRMEN1KMT2A
SCHEMBL24709731 0.79 PNP (0.66) TK1PNPTSHRALDH1A1SMN1; SMN2
SCHEMBL23453027 0.78 HTT (0.51) MAPK1RAB9AHTTSMN1; SMN2KMT2A
SCHEMBL3132950 0.76 MEN1 (0.46) TK1TSHRALDH1A1MEN1KMT2A
SCHEMBL14548981 0.74 MEN1 (0.42) TK1PNPTSHRMEN1KMT2A
SCHEMBL10077237 0.74 RAB9A (0.40) PNPTSHRMAPK1RAB9A
SCHEMBL3136226 0.73 TK1 (0.46) TK1TSHRMEN1KMT2A
SCHEMBL3127339 0.72 MEN1 (0.44) TK1TSHRMEN1KMT2A
SCHEMBL10047129 0.72 TSHR (0.49) TK1TSHRRAB9AMEN1KMT2A
SCHEMBL13196024 0.71 RAF1 (0.43) TK1PNPTSHRRAB9AMEN1

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 TK1 2449/4885PNP 173/4885TSHR 2495/4885

“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.