SCHEMBL295286

SCHEMBL295286

O=C(OCC(COC(=O)c1ccccc1)On1ccnc1[N+](=O)[O-])c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
OPRK1 P41145 1/20 0.41
TDP1 Q9NUW8 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NSD2 O96028 1/20 0.39
ALPL P05186 1/20 0.39
ALPI P09923 1/20 0.39
ALPG P10696 1/20 0.39
CASP7 P55210 1/20 0.39
CASP6 P55212 1/20 0.39
CASP8 Q14790 1/20 0.39
ALOX5 P09917 1/20 0.39
POLB P06746 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
ADRB2 P07550 5/20 0.36

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
SCHEMBL12190885 0.82 CYP3A4 (0.47) KMT2AMEN1ALDH1A1CYP3A4CYP2D6
SCHEMBL294590 0.79 CYP3A4 (0.44) KMT2AMEN1ALDH1A1CYP3A4CYP2D6
SCHEMBL12190875 0.78 CYP3A4 (0.43) KMT2AMEN1ALDH1A1CYP3A4CYP2D6
SCHEMBL295235 0.75 POLB (0.39) KMT2AMEN1ALDH1A1TDP1L3MBTL1
SCHEMBL9092070 0.74 CYP3A4 (0.43) KMT2AMEN1ALDH1A1CYP3A4CYP2D6
SCHEMBL8623793 0.72 CYP3A4 (0.41) KMT2AMEN1ALDH1A1CYP3A4CYP2D6
SCHEMBL9806187 0.70 CYP2D6 (0.48) KMT2ACYP3A4CYP2D6OPRK1POLB
SCHEMBL12190871 0.68 CYP3A4 (0.47) KMT2ACYP3A4CYP2D6OPRK1POLB
SCHEMBL15195184 0.67 CYP3A4 (0.63) CYP3A4CYP2D6OPRK1POLB
Tribenzoin SCHEMBL28609 0.66 ALDH1A1 (0.67) KMT2AMEN1ALDH1A1TDP1L3MBTL1

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
EP-2128140-B1 METHOD FOR PRODUCING 2-NITROIMIDAZOLE DERIVATIVE POLA PHARMA INC (JP) 2012-03-14 EP disclosed
US-8030338-B2 Method for producing 2-nitroimidazole derivative POLA PHARMA INC. (JP) 2011-10-04 US disclosed
US-20100004460-A1 METHOD FOR PRODUCING 2-NITROIMIDAZOLE DERIVATIVE POLA PHARMA INC (JP) 2010-01-07 US disclosed
EP-2128140-A1 METHOD FOR PRODUCING 2-NITROIMIDAZOLE DERIVATIVE Pola Pharma Inc. (JP) 2009-12-02 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-20100004460-A1 METHOD FOR PRODUCING 2-NITROIMIDAZOLE DERIVATIVE GALK1, HOGA1, DERA KMT2A 2623/4885MEN1 2717/4885ALDH1A1 519/4885

“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.