SCHEMBL9107776

SCHEMBL9107776

O=C(Nc1ccccc1)C1=NOCC[S+]1[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
PKM P14618 1/20 0.40
NFKB1 P19838 1/20 0.40
MAOB P27338 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
HTT P42858 2/20 0.40
ALDH1A1 P00352 2/20 0.38
PTPN1 P18031 1/20 0.38
KMT2A Q03164 3/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPK1 P28482 1/20 0.38
HIF1A Q16665 1/20 0.38
KDM4E B2RXH2 2/20 0.37
SIRT1 Q96EB6 1/20 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
SCHEMBL9105045 0.68 MAPK1 (0.52) POLBRAB9ANPC1SMN1; SMN2PKM
SCHEMBL9103932 0.67 RAB9A (0.47) POLBCYP2C9CYP2C19RAB9ANPC1
SCHEMBL10841866 0.65
SCHEMBL30834279 0.62 RAB9A (0.73) POLBRAB9ANPC1SMN1; SMN2NFKB1
SCHEMBL11124271 0.62 RAB9A (0.48) POLBRAB9ANPC1SMN1; SMN2PKM
SCHEMBL20512531 0.61 TP53 (0.56) POLBRAB9ASMN1; SMN2HTTALDH1A1
SCHEMBL6228404 0.61 TSHR (0.68) POLBCYP2C19RAB9ANPC1SMN1; SMN2
SCHEMBL24202631 0.60 SIRT1 (0.83) POLBRAB9ANPC1SMN1; SMN2HTT
N-Phenylbenzamide SCHEMBL5402750 0.60 SIRT1 (0.83) POLBRAB9ANPC1SMN1; SMN2HTT
N-Phenylbenzamide SCHEMBL31966 0.60 SIRT1 (0.83) POLBRAB9ANPC1SMN1; SMN2HTT

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-20120142676-A1 Oxathiazine and dithiine oxides as inhibitors of sulfhydryl-dependent biomolecules CHEE GAIK-LEAN (CA) 2012-06-07 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-20120142676-A1 Oxathiazine and dithiine oxides as inhibitors of sulfhydryl-dependent biomolecules HPGDS, SHMT1, QSOX1 POLB 4501/4885CYP2C9 4345/4885CYP2C19 4615/4885

“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.