SCHEMBL23920847

SCHEMBL23920847

Nc1nc2c(nc(SCCCCC(=O)NCc3ccccc3)n2CCO)c(=O)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
PNP P00491 2/20 0.45
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
GAA P10253 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL23920856 0.88 CYP3A4 (0.56) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL23920867 0.84 PNP (0.52) PNPSMN1; SMN2TP53MAPTALDH1A1
SCHEMBL23921225 0.83 PNP (0.55) PNPTP53ALDH1A1
SCHEMBL23921224 0.83 PNP (0.60) PNPGAARECQLALDH1A1
SCHEMBL23921112 0.82 PNP (0.50) PNPGAARECQLALDH1A1
SCHEMBL23921077 0.82 PNP (0.41) CYP1A2CYP3A4CYP2C19PNPHDAC3
SCHEMBL23921117 0.80 PNP (0.58) PNPGAARECQLALDH1A1
SCHEMBL23921231 0.80 PNP (0.46) PNPHDAC3HDAC4HDAC1HDAC7
SCHEMBL23921226 0.79 PNP (0.48) PNPGAARECQLALDH1A1
SCHEMBL23920795 0.78 PNP (0.52) PNPRECQL

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-20230242568-A1 POLYMER LINKED MULTIMERS OF GUANOSINE-3', 5'-CYCLIC MONOPHOSPHATES MIRECA MEDICINES GMBH (DE) 2023-08-03 US disclosed
US-20210317156-A1 NEW POLYMER LINKED MULTIMERS OF GUANOSINE-3', 5'-CYCLIC MONOPHOSPHATES MIRECA MEDICINES GMBH (DE) 2021-10-14 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 (2 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-20230242568-A1 POLYMER LINKED MULTIMERS OF GUANOSINE-3', 5'-CYCLIC MONOPHOSPHATES PRKG1, PRKG2, PRKAG3 CYP1A2 4542/4885CYP3A4 3988/4885CYP2D6 4696/4885
US-20210317156-A1 NEW POLYMER LINKED MULTIMERS OF GUANOSINE-3', 5'-CYCLIC MONOPHOSPHATES PRKG1, PRKG2, PDE7A CYP1A2 4564/4885CYP3A4 4076/4885CYP2D6 4699/4885

“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.