SCHEMBL4138841

SCHEMBL4138841

O=C1NC(=Cc2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccc2c(c1)OCCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ MAPT P10636 5/20 0.46
▸ LMNA P02545 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ METAP2 P50579 1/20 0.43
▸ PRKCE Q02156 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ PLK1 P53350 1/20 0.42
▸ NR1H4 Q96RI1 1/20 0.42
▸ IGF1R P08069 1/20 0.42
▸ METAP1 P53582 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42

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
SCHEMBL4138839 1.00 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MAPTLMNAMEN1
SCHEMBL13651176 1.00 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MAPTLMNAMEN1
SCHEMBL4129761 0.94 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MAPTLMNAMEN1
SCHEMBL4129765 0.94 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MAPTLMNAMEN1
SCHEMBL13651177 0.94 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MAPTLMNAMEN1
SCHEMBL13651180 0.86 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MAPTLMNAMEN1
SCHEMBL4129712 0.86 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MAPTLMNAMEN1
SCHEMBL4129713 0.86 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MAPTLMNAMEN1
SCHEMBL13651178 0.76 MAPK1 (0.65) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL4132061 0.76 MAPK1 (0.65) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A

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 5 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
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 3949/4885MAPT 4768/4885

“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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