SCHEMBL7089339

SCHEMBL7089339

NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.51
MGAM O43451 1/20 0.51
SI P14410 1/20 0.51
PKM P14618 1/20 0.51
MGAM2 Q2M2H8 1/20 0.51
CYP2C9 P11712 1/20 0.51
SCN9A Q15858 1/20 0.51
EIF4E P06730 1/20 0.50
TSHR P16473 1/20 0.49
HTR2B P41595 1/20 0.48
CSNK2A1 P68400 3/20 0.47
VCP P55072 1/20 0.47
CDC7 O00311 1/20 0.47
RAB9A P51151 2/20 0.47
ACHE P22303 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.45

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
SCHEMBL6181984 0.88 EIF4E (0.56) GAAMGAMSIPKMMGAM2
SCHEMBL9329912 0.81 ALDH1A1 (0.47) GAACYP2C9EIF4ERAB9AMEN1
SCHEMBL7089405 0.81 RAB9A (0.75) GAAPKMRAB9AMEN1KMT2A
SCHEMBL1786612 0.79 HSD17B1 (0.60) CYP2C9SCN9AHTR2BACHEALDH1A1
SCHEMBL7090928 0.79 CYP2C9 (0.56) GAACYP2C9SCN9ATSHRHTR2B
SCHEMBL14564378 0.79 CYP2C9 (0.62) GAACYP2C9SCN9AHTR2BACHE
SCHEMBL16404012 0.78 EIF4E (0.55) GAAMGAMSIPKMMGAM2
SCHEMBL31351001 0.78 TLR7 (0.62) CYP2C9SCN9AHTR2BACHEMEN1
SCHEMBL27993654 0.77 TSHR (0.53) GAATSHRCSNK2A1VCPCDC7
Hydrochloric Acid SCHEMBL27746131 0.77 TLR7 (0.60) CYP2C9SCN9AHTR2BACHEMEN1

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-20030144308-A1 Fructose 1,6-bisphosphatase inhibitors BAUER PAUL H (US) 2003-07-31 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-20030144308-A1 Fructose 1,6-bisphosphatase inhibitors FBP1, HK1, G6PC1 GAA 78/4885MGAM 36/4885SI 127/4885

“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.