SCHEMBL10144823

SCHEMBL10144823

O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)Nc1nccs1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.69
▸ ALDH1A1 P00352 6/20 0.69
▸ NPSR1 Q6W5P4 4/20 0.69
▸ HTT P42858 2/20 0.69
▸ MAPT P10636 4/20 0.66
▸ ESR1 P03372 1/20 0.66
▸ GAA P10253 1/20 0.66
▸ HSD17B10 Q99714 3/20 0.64
▸ L3MBTL1 Q9Y468 1/20 0.64
▸ PIK3C2A O00443 1/20 0.62
▸ KMT2A Q03164 5/20 0.61
▸ MEN1 O00255 4/20 0.61
▸ CTDSP1 Q9GZU7 2/20 0.61
▸ TDP1 Q9NUW8 2/20 0.61
▸ BLM P54132 1/20 0.61
▸ TGM2 P21980 1/20 0.60
▸ TP53 P04637 1/20 0.60
▸ BRD3 Q15059 2/20 0.58
▸ RECQL P46063 1/20 0.57
▸ HPGD P15428 2/20 0.53

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
SCHEMBL3913381 0.81 ALDH1A1 (0.71) KDM4EALDH1A1NPSR1HTTMAPT
SCHEMBL19079839 0.80 KDM4E (0.73) KDM4EALDH1A1NPSR1HTTMAPT
SCHEMBL541068 0.79 KMT2A (0.73) KDM4EALDH1A1NPSR1HTTMAPT
SCHEMBL21586309 0.77 PIK3C2A (1.00) KDM4EALDH1A1GAAPIK3C2AKMT2A
SCHEMBL30003012 0.77 PIK3C2A (1.00) KDM4EALDH1A1GAAPIK3C2AKMT2A
SCHEMBL15722389 0.77 KDM4E (0.73) KDM4EALDH1A1NPSR1HTTMAPT
SCHEMBL12857883 0.76 KMT2A (0.74) KDM4EALDH1A1NPSR1HTTMAPT
SCHEMBL5805462 0.76 KDM4E (0.71) KDM4EALDH1A1NPSR1HTTMAPT
SCHEMBL15506196 0.75 KDM4E (0.68) KDM4EALDH1A1NPSR1HTTMAPT
SCHEMBL6037625 0.75 TGM2 (1.00) KDM4EALDH1A1NPSR1HTTKMT2A

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-20120100609-A1 N-LINKED GLYCAN BIOSYNTHESIS MODULATORS BIOMARIN PHARMACEUTICAL INC. 2012-04-26 — — 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-20120100609-A1 N-LINKED GLYCAN BIOSYNTHESIS MODULATORS ENGASE, GALNT1, GALNT13 KDM4E 3708/4885ALDH1A1 2125/4885NPSR1 2181/4885

“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.

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