SCHEMBL4137071

SCHEMBL4137071

O=C1/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)SC(=S)N1Cc1ccc2c(c1)OCO2

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.53
▸ MEN1 O00255 4/20 0.53
▸ POLB P06746 3/20 0.53
▸ BLM P54132 2/20 0.53
▸ MAPK1 P28482 2/20 0.49
▸ ALDH1A1 P00352 5/20 0.49
▸ MAPT P10636 5/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ CTRC Q99895 2/20 0.47
▸ PLG P00747 1/20 0.44
▸ MGAM O43451 1/20 0.43
▸ NOD2 Q9HC29 1/20 0.42
▸ DDX3X O00571 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ PKM P14618 1/20 0.41

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
SCHEMBL4137076 1.00 KMT2A (0.53) KMT2AMEN1POLBBLMMAPK1
SCHEMBL4132843 0.86 DDX3X (0.52) KMT2AMEN1POLBBLMMAPK1
SCHEMBL4132847 0.86 DDX3X (0.52) KMT2AMEN1POLBBLMMAPK1
SCHEMBL4136593 0.80 MAPK1 (0.61) KMT2AMEN1POLBBLMMAPK1
SCHEMBL4136582 0.80 MAPK1 (0.61) KMT2AMEN1POLBBLMMAPK1
SCHEMBL4136588 0.80 MAPK1 (0.61) KMT2AMEN1POLBBLMMAPK1
SCHEMBL4140832 0.76 MAPK1 (0.54) KMT2AMEN1POLBBLMMAPK1
SCHEMBL4140829 0.76 MAPK1 (0.54) KMT2AMEN1POLBBLMMAPK1
SCHEMBL14220257 0.74 MAPK1 (0.50) KMT2AMEN1POLBBLMMAPK1
SCHEMBL4138637 0.74 MAPK1 (0.72) KMT2AMEN1POLBBLMMAPK1

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 KMT2A 1459/4885MEN1 2336/4885POLB 2448/4885

“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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