SCHEMBL9105045

SCHEMBL9105045

O=C(Nc1ccccc1)C1=NOCCS1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.52
HSD17B10 Q99714 1/20 0.52
POLB P06746 1/20 0.42
RAB9A P51151 7/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
NPC1 O15118 4/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTT P42858 1/20 0.41
PKM P14618 2/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
MAOB P27338 1/20 0.41
ATR Q13535 1/20 0.41
ALDH1A1 P00352 3/20 0.40
PRKCI P41743 1/20 0.40
PTPN1 P18031 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL30540082 0.76 SMN1; SMN2 (0.60) MAPK1HSD17B10POLBRAB9ASMN1; SMN2
SCHEMBL10750118 0.75 NPC1 (0.54) MAPK1HSD17B10RAB9ASMN1; SMN2NPC1
SCHEMBL4257455 0.70 MAPK1 (0.68) MAPK1HSD17B10POLBRAB9ASMN1; SMN2
Carboxin SCHEMBL18392 0.69 MAPK1 (1.00) MAPK1HSD17B10POLBRAB9ANPC1
SCHEMBL9103932 0.69 RAB9A (0.47) MAPK1HSD17B10POLBRAB9ASMN1; SMN2
Carboxin SCHEMBL8819780 0.69 MAPK1 (1.00) MAPK1HSD17B10POLBRAB9ANPC1
SCHEMBL9107776 0.68 POLB (0.41) MAPK1HSD17B10POLBRAB9ASMN1; SMN2
SCHEMBL13001995 0.66 MAPK1 (0.65) MAPK1HSD17B10POLBRAB9ASMN1; SMN2
Carboxin SCHEMBL20746329 0.65 MAPK1 (0.90) MAPK1HSD17B10POLBRAB9ANPC1
SCHEMBL11634051 0.64 HSD17B10 (0.64) MAPK1HSD17B10RAB9ASMN1; SMN2NPC1

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 MAPK1 942/4885HSD17B10 538/4885POLB 4501/4885

“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.