SCHEMBL4129761

SCHEMBL4129761

O=C1N/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccc2c(c1)OCO2

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ PRKCE Q02156 1/20 0.49
▸ DYRK2 Q92630 2/20 0.48
▸ PIM1 P11309 1/20 0.48
▸ KMT2A Q03164 4/20 0.47
▸ PKM P14618 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ GAA P10253 1/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ CMA1 P23946 1/20 0.46
▸ MAPT P10636 3/20 0.45
▸ MGAM O43451 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ HTT P42858 1/20 0.43

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
SCHEMBL4129765 1.00 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2L3MBTL1LMNAPRKCE
SCHEMBL13651177 1.00 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2L3MBTL1LMNAPRKCE
SCHEMBL4138841 0.94 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2L3MBTL1LMNAPRKCE
SCHEMBL13651176 0.94 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2L3MBTL1LMNAPRKCE
SCHEMBL4138839 0.94 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2L3MBTL1LMNAPRKCE
SCHEMBL4129712 0.92 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2L3MBTL1LMNADYRK2
SCHEMBL4129713 0.92 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2L3MBTL1LMNADYRK2
SCHEMBL13651180 0.92 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2L3MBTL1LMNADYRK2
SCHEMBL13651178 0.82 MAPK1 (0.65) ALDH1A1SMN1; SMN2L3MBTL1KMT2APKM
SCHEMBL4132061 0.82 MAPK1 (0.65) ALDH1A1SMN1; SMN2L3MBTL1KMT2APKM

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 4 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-2074124-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) 2009-07-01 — — EP 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
WO-2008043733-A1 3- (BENZO [D] [1,3] DIOXOL-5-YLMETHYL) -4- (THIO) OXO-2- (THIO) OXO-AZOLIDIN-5-YLIDENE DERIVATIVES AS ANTIBACTERIAL AGENTS LEK PHARMACEUTICAL D.D. (SI) 2008-04-17 — — WO 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 ALDH1A1 1858/4885SMN1; SMN2 3949/4885L3MBTL1 2431/4885

“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.

Send feedback