SCHEMBL21396427

SCHEMBL21396427

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.47
PKM P14618 5/20 0.47
ALDH1A1 P00352 3/20 0.47
TP53 P04637 2/20 0.46
LMNA P02545 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
MAPT P10636 1/20 0.42
PNP P00491 1/20 0.42
PIK3C2A O00443 1/20 0.42
PIK3C2B O00750 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 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
SCHEMBL23921082 0.87 PKM (0.52) RXFP1PKMALDH1A1TP53LMNA
SCHEMBL23920994 0.76 MAPT (0.48) PKMALDH1A1TP53LMNANPC1
SCHEMBL23921073 0.76 MEN1 (0.42) RXFP1PKMALDH1A1TP53LMNA
SCHEMBL21396411 0.75 RXFP1 (0.40) RXFP1PKMALDH1A1TP53LMNA
SCHEMBL23920856 0.74 CYP3A4 (0.56) RXFP1PKMALDH1A1TP53LMNA
SCHEMBL21396394 0.69 PNP (0.51) ALDH1A1HPGDMAPTPNP
SCHEMBL21396435 0.68 PNP (0.42) ALDH1A1L3MBTL1HPGDPNP
SCHEMBL23921225 0.68 PNP (0.55) ALDH1A1TP53HPGDPNP
SCHEMBL23921227 0.67 ALDH1A1 (0.47) RXFP1ALDH1A1MAPTPNPKMT2A
SCHEMBL23921094 0.67 PNP (0.48) ALDH1A1TP53HPGDPNPKMT2A

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.