SCHEMBL4132935

SCHEMBL4132935

O=C1/C(=C/c2ccc([N+](=O)[O-])c(O)c2)SC(=S)N1Cc1ccc2c(c1)OCO2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.61
▸ KMT2A Q03164 8/20 0.61
▸ MAPK1 P28482 4/20 0.61
▸ MAPT P10636 3/20 0.61
▸ ALDH1A1 P00352 2/20 0.61
▸ HTT P42858 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ DDX3X O00571 2/20 0.59
▸ POLB P06746 5/20 0.52
▸ HSP90AA1 P07900 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ CASP3 P42574 1/20 0.52
▸ SENP8 Q96LD8 1/20 0.52
▸ SENP7 Q9BQF6 1/20 0.52
▸ SENP6 Q9GZR1 1/20 0.52
▸ CTRC Q99895 2/20 0.51
▸ NOD2 Q9HC29 2/20 0.50
▸ BLM P54132 2/20 0.49
▸ PTPN7 P35236 2/20 0.48
▸ PTPN12 Q05209 2/20 0.48

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
SCHEMBL4132938 1.00 MEN1 (0.61) MEN1KMT2AMAPK1MAPTALDH1A1
SCHEMBL4126818 0.88 MEN1 (0.67) MEN1KMT2AMAPK1MAPTALDH1A1
SCHEMBL4126817 0.88 MEN1 (0.67) MEN1KMT2AMAPK1MAPTALDH1A1
SCHEMBL4138638 0.86 MAPK1 (0.72) MEN1KMT2AMAPK1MAPTSMN1; SMN2
SCHEMBL4138637 0.86 MAPK1 (0.72) MEN1KMT2AMAPK1MAPTSMN1; SMN2
SCHEMBL4136588 0.84 MAPK1 (0.61) MEN1KMT2AMAPK1MAPTALDH1A1
SCHEMBL4136582 0.84 MAPK1 (0.61) MEN1KMT2AMAPK1MAPTALDH1A1
SCHEMBL4136593 0.84 MAPK1 (0.61) MEN1KMT2AMAPK1MAPTALDH1A1
SCHEMBL4132847 0.83 DDX3X (0.52) MEN1KMT2AMAPK1MAPTALDH1A1
SCHEMBL4132843 0.83 DDX3X (0.52) MEN1KMT2AMAPK1MAPTALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247516-A1 3- (BENZO [D] [1,3] DIOXOL-5-YLMETHYL) -4- (THIO) OXO-2- (THIO) OXO-AZOLIDIN-5-YLIDENE DERIVATIVES AS ANTIBACTERIAL AGENTS KOTNIK MIHA 2009-10-01 — — US disclosed
US-20090247516-A1 3- (BENZO [D] [1,3] DIOXOL-5-YLMETHYL) -4- (THIO) OXO-2- (THIO) OXO-AZOLIDIN-5-YLIDENE DERIVATIVES AS ANTIBACTERIAL AGENTS KOTNIK MIHA 2009-10-01 — — US disclosed
EP-1916249-A1 3-(benzo[d][1,3]dioxol-5-ylmethyl)-4-(thio)oxo-2-(thio)oxo-azolidin-5-ylidene derivatives as antibacterial agents LEK Pharmaceuticals D.D. (SI) 2008-04-30 — — EP 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-20090247516-A1 3- (BENZO [D] [1,3] DIOXOL-5-YLMETHYL) -4- (THIO) OXO-2- (THIO) OXO-AZOLIDIN-5-YLIDENE DERIVATIVES AS ANTIBACTERIAL AGENTS XDH, TXLNA, Q6ZSR9 MEN1 2336/4885KMT2A 1459/4885MAPK1 3035/4885

“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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