SCHEMBL4774882

SCHEMBL4774882

O=[N+]([O-])c1cn2c(n1)OCC(OCc1csc(-c3ccc(OC(F)(F)F)cc3)n1)C2

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.76
KCNH2 Q12809 5/20 0.45
PTGS1 P23219 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SHMT2 P34897 1/20 0.40
EIF4E P06730 1/20 0.35
F2RL3 Q96RI0 2/20 0.35
AVPR1B P47901 1/20 0.35
PIM1 P11309 6/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
ADORA1 P30542 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
NTRK1 P04629 1/20 0.32
DAPK1 P53355 1/20 0.32
PIM3 Q86V86 1/20 0.32
PIM2 Q9P1W9 1/20 0.32

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
SCHEMBL4774874 1.00 CHRM1 (0.76) CHRM1KCNH2PTGS1SLC6A2SLC6A4
SCHEMBL508066 0.88 CHRM1 (0.94) CHRM1KCNH2PTGS1SLC6A2SLC6A4
Pretomanid SCHEMBL14004006 0.87 CHRM1 (1.00) CHRM1KCNH2PTGS1SLC6A2SLC6A4
Pretomanid SCHEMBL2983011 0.87 CHRM1 (1.00) CHRM1KCNH2PTGS1SLC6A2SLC6A4
SCHEMBL508462 0.86 CHRM1 (0.75) CHRM1KCNH2PTGS1SLC6A2SLC6A4
SCHEMBL508007 0.85 CHRM1 (0.73) CHRM1KCNH2PTGS1SLC6A2SLC6A4
SCHEMBL507542 0.84 CHRM1 (0.94) CHRM1KCNH2PTGS1SLC6A2SLC6A4
SCHEMBL1160458 0.84 CHRM1 (0.94) CHRM1KCNH2PTGS1SLC6A2SLC6A4
SCHEMBL508172 0.84 CHRM1 (0.72) CHRM1KCNH2PTGS1SLC6A2SLC6A4
SCHEMBL508717 0.84 CHRM1 (0.80) CHRM1KCNH2PTGS1SLC6A2SLC6A4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080275035-A1 Nitroimidazole Compounds JIRICEK JAN 2008-11-06 US disclosed
US-20080275035-A1 Nitroimidazole Compounds JIRICEK JAN 2008-11-06 US disclosed
US-20080275035-A1 Nitroimidazole Compounds JIRICEK JAN 2008-11-06 US disclosed
EP-1984369-A2 NITROIMIDAZOLE COMPOUNDS Novartis AG (CH) 2008-10-29 EP disclosed
WO-2007075872-A2 NITROIMIDAZOLE COMPOUNDS NOVARTIS AG (CH) 2007-07-05 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-20080275035-A1 Nitroimidazole Compounds NQO2, NQO1, MT-ND2 CHRM1 1746/4885KCNH2 1884/4885PTGS1 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.