SCHEMBL21396411

SCHEMBL21396411

Nc1nc2c(nc(SCC(=O)Nc3ccccc3)n2CC(O)C2OPOCC2O)c(=O)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.40
PKM P14618 5/20 0.40
ALDH1A1 P00352 5/20 0.40
TP53 P04637 2/20 0.39
MAPT P10636 2/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 2/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PIK3C2A O00443 1/20 0.36
PIK3C2B O00750 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL21396502 0.88 PNP (0.37) MAPT
SCHEMBL21396496 0.83 RXFP1 (0.39) RXFP1PKMALDH1A1TP53MAPT
SCHEMBL21396508 0.82 PNP (0.36) MAPT
SCHEMBL21396531 0.81 PNP (0.33) MAPT
SCHEMBL21396350 0.80 PNP (0.41)
SCHEMBL21396490 0.77 CYP3A4 (0.42) MAPT
SCHEMBL23921082 0.76 PKM (0.52) RXFP1PKMALDH1A1TP53MAPT
SCHEMBL21396412 0.76 PNP (0.36)
SCHEMBL21396427 0.75 RXFP1 (0.47) RXFP1PKMALDH1A1TP53MAPT
SCHEMBL21396346 0.75 PNP (0.43)

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-20190292214-A1 NEW EQUATORIALLY MODIFIED POLYMER LINKED MULTIMERS OF GUANOSINE-3', 5'-CYCLIC MONOPHOSPHATES MIRECA MEDICINES GMBH (DE) 2019-09-26 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-20190292214-A1 NEW EQUATORIALLY MODIFIED POLYMER LINKED MULTIMERS OF GUANOSINE-3', 5'-CYCLIC MONOPHOSPHATES PDE7A, PRKG1, PDE4C RXFP1 3234/4885PKM 2205/4885ALDH1A1 3355/4885

“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.