SCHEMBL12190875

SCHEMBL12190875

O=C(OCC(CF)OCn1ccnc1[N+](=O)[O-])c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
OPRK1 P41145 1/20 0.43
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.37
CYP2C19 P33261 1/20 0.37
CA12 O43570 5/20 0.35
CA1 P00915 5/20 0.35
CA2 P00918 5/20 0.35
CA9 Q16790 5/20 0.35
NSD2 O96028 1/20 0.35
ALPL P05186 1/20 0.35
ALPI P09923 1/20 0.35
ALPG P10696 1/20 0.35
CASP7 P55210 1/20 0.35
CASP6 P55212 1/20 0.35
CASP8 Q14790 1/20 0.35

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 0.94 CYP3A4 (0.47) CYP3A4CYP2D6OPRK1KMT2AMEN1
SCHEMBL294590 0.91 CYP3A4 (0.44) CYP3A4CYP2D6OPRK1KMT2AMEN1
SCHEMBL6236946 0.84 KMT2A (0.42) CYP3A4CYP2D6OPRK1KMT2ALMNA
SCHEMBL9092070 0.84 CYP3A4 (0.43) CYP3A4CYP2D6OPRK1KMT2AMEN1
SCHEMBL8623793 0.81 CYP3A4 (0.41) CYP3A4CYP2D6OPRK1KMT2AMEN1
SCHEMBL12190871 0.79 CYP3A4 (0.47) CYP3A4CYP2D6OPRK1KMT2ALMNA
SCHEMBL29612990 0.79 LMNA (0.45) CYP3A4CYP2D6OPRK1KMT2AMEN1
SCHEMBL295804 0.79 LMNA (0.45) CYP3A4CYP2D6OPRK1KMT2AMEN1
SCHEMBL295286 0.78 KMT2A (0.44) CYP3A4CYP2D6OPRK1KMT2AMEN1
SCHEMBL9621330 0.77 KMT2A (0.45) CYP3A4CYP2D6OPRK1KMT2AALDH1A1

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
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

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 CYP3A4 1147/4885CYP2D6 494/4885OPRK1 921/4885

“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.