SCHEMBL4141548

SCHEMBL4141548

CC1(C)Oc2ccc(CN3C(=O)C(=Cc4cccc([N+](=O)[O-])c4)SC3=S)cc2O1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 4/20 0.53
▸ PKM P14618 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ MEN1 O00255 5/20 0.50
▸ KMT2A Q03164 5/20 0.50
▸ MAPT P10636 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ HTT P42858 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ POLB P06746 3/20 0.49
▸ BLM P54132 2/20 0.49
▸ AKR1B1 P15121 1/20 0.49
▸ CRHBP P24387 2/20 0.49
▸ CRHR2 Q13324 2/20 0.49
▸ NOD2 Q9HC29 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ ATM Q13315 1/20 0.48
▸ PPARG P37231 1/20 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
SCHEMBL4141542 1.00 MAPK1 (0.53) MAPK1PKMNPSR1MEN1KMT2A
SCHEMBL13651175 1.00 MAPK1 (0.53) MAPK1PKMNPSR1MEN1KMT2A
SCHEMBL4136593 0.86 MAPK1 (0.61) MAPK1PKMNPSR1MEN1KMT2A
SCHEMBL4136588 0.86 MAPK1 (0.61) MAPK1PKMNPSR1MEN1KMT2A
SCHEMBL4136582 0.86 MAPK1 (0.61) MAPK1PKMNPSR1MEN1KMT2A
SCHEMBL4127331 0.86 MEN1 (0.67) MAPK1MEN1KMT2APOLBBLM
SCHEMBL4127335 0.86 MEN1 (0.67) MAPK1MEN1KMT2APOLBBLM
SCHEMBL14220610 0.86 MAPK1 (0.51) MAPK1PKMNPSR1MEN1KMT2A
SCHEMBL17762653 0.83 MEN1 (0.70) MAPK1PKMNPSR1MEN1KMT2A
SCHEMBL9785899 0.80 PPARG (0.61) MAPK1PKMNPSR1MEN1KMT2A

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 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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