SCHEMBL4132059

SCHEMBL4132059

O=C1S/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccc2c(c1)OCO2

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.65
▸ PKM P14618 1/20 0.65
▸ NPSR1 Q6W5P4 1/20 0.65
▸ ALDH1A1 P00352 2/20 0.60
▸ MEN1 O00255 1/20 0.60
▸ POLB P06746 1/20 0.60
▸ MAPT P10636 1/20 0.60
▸ CRHBP P24387 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ CRHR2 Q13324 1/20 0.60
▸ NOD2 Q9HC29 1/20 0.60
▸ TDP1 Q9NUW8 1/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ AKR1B1 P15121 1/20 0.59
▸ PPARG P37231 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL13651178 1.00 MAPK1 (0.65) MAPK1PKMNPSR1ALDH1A1MEN1
SCHEMBL4132061 1.00 MAPK1 (0.65) MAPK1PKMNPSR1ALDH1A1MEN1
SCHEMBL4136593 0.91 MAPK1 (0.61) MAPK1PKMNPSR1ALDH1A1MEN1
SCHEMBL4136582 0.91 MAPK1 (0.61) MAPK1PKMNPSR1ALDH1A1MEN1
SCHEMBL4136588 0.91 MAPK1 (0.61) MAPK1PKMNPSR1ALDH1A1MEN1
SCHEMBL4131316 0.84 PTPN1 (0.65) MAPK1PKMMEN1KMT2AAKR1B1
SCHEMBL4131315 0.84 PTPN1 (0.65) MAPK1PKMMEN1KMT2AAKR1B1
SCHEMBL5459959 0.82 MAPK1 (0.69) MAPK1PKMNPSR1ALDH1A1MEN1
SCHEMBL5459960 0.82 MAPK1 (0.69) MAPK1PKMNPSR1ALDH1A1MEN1
SCHEMBL4129765 0.82 ALDH1A1 (0.54) MAPK1PKMNPSR1ALDH1A1MEN1

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 2 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
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 MAPK1 3035/4885PKM 2638/4885NPSR1 751/4885

“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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