SCHEMBL20987763

SCHEMBL20987763

C=CC(=O)Nc1csc(NC(=O)CC)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSTO1 P78417 11/20 0.48
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ MAPT P10636 3/20 0.46
▸ HTT P42858 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ NPC1 O15118 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ PI4KB Q9UBF8 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ HPGD P15428 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
SCHEMBL17371302 0.84 PI4KB (0.59) GSTO1KMT2AMAPTHSD17B10NPC1
SCHEMBL16123250 0.80 TYR (0.49) GSTO1MEN1KMT2AALDH1A1RAB9A
SCHEMBL11508621 0.75 GSTO1 (0.48) GSTO1ALDH1A1PI4KB
SCHEMBL11475672 0.73 TGM2 (0.44) GSTO1LMNA
SCHEMBL4097866 0.73 SMN1; SMN2 (0.63) KMT2AALDH1A1RAB9AMAPTHSD17B10
SCHEMBL2645325 0.72 ADORA3 (0.43) MEN1KMT2AALDH1A1RAB9AMAPT
SCHEMBL16095753 0.72 GSTO1 (0.47) GSTO1HTTHSD17B10PI4KB
SCHEMBL11635206 0.72 GSTO1 (0.48) GSTO1PI4KB
SCHEMBL11595205 0.70 CGAS (0.48) KMT2AALDH1A1RAB9AHTTNPC1
SCHEMBL11355587 0.70 ADORA3 (0.44) MEN1KMT2AALDH1A1RAB9AMAPT

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-20190135835-A1 MK2 INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-05-09 — — 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-20190135835-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, DUSP2, MKNK1 GSTO1 2225/4885MEN1 2025/4885KMT2A 377/4885

“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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