SCHEMBL23148571

SCHEMBL23148571

CC1(C#N)CC(NC(=S)NC(=O)O)C1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.38
GAA P10253 2/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 2/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
EPHX1 P07099 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL23148856 0.84 POLB (0.33) POLB
SCHEMBL28542561 0.79 GAA (0.45) RECQLGAAMEN1KMT2AEPHX1
SCHEMBL23148847 0.79 RECQL (0.42) RECQLGAAPOLBALDH1A1NPSR1
SCHEMBL23148795 0.71 ALDH1A1 (0.35) RECQLGAAALDH1A1NPSR1MEN1
SCHEMBL23148614 0.69 RECQL (0.33) RECQLNPC1RAB9A
SCHEMBL28545503 0.69 CTSK (0.51) GAAMEN1KMT2A
SCHEMBL23148736 0.68 RECQL (0.32) RECQLNPC1RAB9A
SCHEMBL23148670 0.68 TP53 (0.43) RECQLPOLBALDH1A1MEN1KMT2A
SCHEMBL23148788 0.65 ALDH1A1 (0.67) GAAALDH1A1LMNANPC1RAB9A
SCHEMBL23148678 0.63 NPC1 (0.39) GAAALDH1A1KMT2ALMNANPC1

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-20210094941-A1 Antimalarial Hexahydropyrimidine Analogues UCB Biopharma SRL (BE) 2021-04-01 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-20210094941-A1 Antimalarial Hexahydropyrimidine Analogues G6PD, DPYD, DHODH RECQL 3027/4885GAA 3464/4885POLB 711/4885

“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.