SCHEMBL23920992

SCHEMBL23920992

CN(C)c1ccc(NC(=O)CCCCSc2nc3c(=O)[nH]c(N)nc3n2CCO)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC2 Q92769 3/20 0.40
HDAC8 Q9BY41 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
HDAC4 P56524 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
PNP P00491 2/20 0.39
MAPT P10636 8/20 0.39
GAA P10253 3/20 0.39
THRB P10828 1/20 0.39
ALDH1A1 P00352 5/20 0.39
POLB P06746 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NPC1 O15118 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL23920994 0.89 MAPT (0.48) MAPTGAATHRBALDH1A1POLB
SCHEMBL23921229 0.82 PNP (0.37) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL23921112 0.80 PNP (0.50) PNPGAAALDH1A1USP2HSD17B10
SCHEMBL23920993 0.80 PNP (0.36) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL23921231 0.80 PNP (0.46) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL23921224 0.79 PNP (0.60) PNPGAAALDH1A1USP2HSD17B10
SCHEMBL23921226 0.79 PNP (0.48) PNPGAAALDH1A1USP2HSD17B10
SCHEMBL23920847 0.79 CYP1A2 (0.46) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL23921117 0.78 PNP (0.58) PNPGAAALDH1A1USP2HSD17B10
SCHEMBL23920795 0.76 PNP (0.52) PNPUSP2HSD17B10

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 HDAC3 2425/4885HDAC1 2613/4885HDAC2 2869/4885
US-20210317156-A1 NEW POLYMER LINKED MULTIMERS OF GUANOSINE-3', 5'-CYCLIC MONOPHOSPHATES PRKG1, PRKG2, PDE7A HDAC3 2644/4885HDAC1 2663/4885HDAC2 3000/4885

“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.