SCHEMBL4129712

SCHEMBL4129712

O=C1/C(=C\c2cccc([N+](=O)[O-])c2)NC(=S)N1Cc1ccc2c(c1)OCO2

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ LMNA P02545 2/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ KMT2A Q03164 4/20 0.47
▸ MAPT P10636 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ PIM1 P11309 1/20 0.46
▸ DYRK2 Q92630 1/20 0.46
▸ CRHBP P24387 1/20 0.45
▸ CRHR2 Q13324 1/20 0.45
▸ IDH1 O75874 1/20 0.45
▸ PKM P14618 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ GAA P10253 2/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.43
▸ CMA1 P23946 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
SCHEMBL13651180 1.00 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2LMNAL3MBTL1KMT2A
SCHEMBL4129713 1.00 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2LMNAL3MBTL1KMT2A
SCHEMBL4129765 0.92 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2LMNAL3MBTL1KMT2A
SCHEMBL4129761 0.92 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2LMNAL3MBTL1KMT2A
SCHEMBL13651177 0.92 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2LMNAL3MBTL1KMT2A
SCHEMBL4138839 0.86 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2LMNAL3MBTL1KMT2A
SCHEMBL4138841 0.86 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2LMNAL3MBTL1KMT2A
SCHEMBL13651176 0.86 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2LMNAL3MBTL1KMT2A
SCHEMBL4136582 0.84 MAPK1 (0.61) ALDH1A1SMN1; SMN2LMNAL3MBTL1KMT2A
SCHEMBL4136588 0.84 MAPK1 (0.61) ALDH1A1SMN1; SMN2LMNAL3MBTL1KMT2A

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 ALDH1A1 1858/4885SMN1; SMN2 3949/4885LMNA 2841/4885

“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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