SCHEMBL294230

SCHEMBL294230

CC(=O)OCC(CO)OCn1ccnc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
THRB P10828 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.43
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
OPRK1 P41145 1/20 0.38
TYMP P19971 3/20 0.38
CA12 O43570 5/20 0.37
CA1 P00915 5/20 0.37
CA2 P00918 5/20 0.37
CA9 Q16790 5/20 0.37
NOS1 P29475 1/20 0.36
PDE3A Q14432 1/20 0.35
MITF O75030 1/20 0.34
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
CCR10 P46092 2/20 0.30

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
SCHEMBL9621330 0.94 KMT2A (0.45) LMNATHRBCYP2C19KMT2ACYP3A4
SCHEMBL6236946 0.90 KMT2A (0.42) LMNATHRBCYP2C19KMT2ACYP3A4
SCHEMBL296256 0.87 KMT2A (0.40) LMNATHRBCYP2C19KMT2ACYP3A4
SCHEMBL5050584 0.86 LMNA (0.49) LMNATHRBCYP2C19KMT2ACYP3A4
SCHEMBL294590 0.84 CYP3A4 (0.44) LMNATHRBCYP2C19KMT2ACYP3A4
SCHEMBL7206704 0.83 KMT2A (0.42) LMNATHRBCYP2C19KMT2ACYP3A4
SCHEMBL9318067 0.83 KMT2A (0.45) LMNATHRBCYP2C19KMT2ACYP3A4
SCHEMBL7206685 0.83 KMT2A (0.42) LMNATHRBCYP2C19KMT2ACYP3A4
SCHEMBL7206960 0.83 KMT2A (0.42) LMNATHRBCYP2C19KMT2ACYP3A4
SCHEMBL9408110 0.82 KMT2A (0.44) LMNATHRBCYP2C19KMT2ACYP3A4

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 12 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-8030338-B2 Method for producing 2-nitroimidazole derivative POLA PHARMA INC. (JP) 2011-10-04 US 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
US-20100004460-A1 METHOD FOR PRODUCING 2-NITROIMIDAZOLE DERIVATIVE POLA PHARMA INC (JP) 2010-01-07 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
EP-1218351-B1 NITROIMIDAZOLE DERIVATIVE AND DIAGNOSTIC IMAGING AGENT CONTAINING THE SAME POLA CHEM IND INC (JP) 2005-04-20 EP disclosed
US-6743925-B1 FLUORINE RADIOTAGGED; DETECTION OF CANCER CELLS OR ISCHEMIC SITES OF CIRCULATORY ORGANS POLA CHEMICAL INDUSTRIES, INC. (JP) 2004-06-01 US disclosed
EP-1218351-A2 NITROIMIDAZOLE DERIVATIVE AND DIAGNOSTIC IMAGING AGENT CONTAINING THE SAME POLA CHEMICAL INDUSTRIES, INC. (JP) 2002-07-03 EP disclosed
WO-2001019799-A2 NITROIMIDAZOLE DERIVATIVE AND DIAGNOSTIC IMAGING AGENT CONTAINING THE SAME POLA CHEMICAL INDUSTRIES, INC. (JP) 2001-03-22 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-20100004460-A1 METHOD FOR PRODUCING 2-NITROIMIDAZOLE DERIVATIVE GALK1, HOGA1, DERA LMNA 2553/4885THRB 3406/4885CYP2C19 745/4885

“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.