SCHEMBL4883246

SCHEMBL4883246

O=[N+]([O-])c1cn2c(n1)OCC(OCc1ccc(-c3nc4cc(OC(F)(F)F)ccc4o3)cc1)C2

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.75
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
KCNH2 Q12809 4/20 0.40
CETP P11597 1/20 0.39
PPARG P37231 6/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
CYP2C8 P10632 2/20 0.37
P2RY14 Q15391 2/20 0.37
NR1I2 O75469 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 1/20 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
SCHEMBL508066 0.87 CHRM1 (0.94) CHRM1KCNH2MAPTALDH1A1PTGS1
Pretomanid SCHEMBL14004006 0.86 CHRM1 (1.00) CHRM1KCNH2PTGS1SLC6A2SLC6A4
Pretomanid SCHEMBL2983011 0.86 CHRM1 (1.00) CHRM1KCNH2PTGS1SLC6A2SLC6A4
SCHEMBL4894192 0.85 CHRM1 (0.75) CHRM1KCNH2MAPTNPC1RAB9A
SCHEMBL4894200 0.85 CHRM1 (0.75) CHRM1KCNH2MAPTNPC1RAB9A
SCHEMBL508169 0.84 CHRM1 (0.79) CHRM1KCNH2PTGS1SLC6A2SLC6A4
SCHEMBL1160458 0.84 CHRM1 (0.94) CHRM1KCNH2PTGS1SLC6A2SLC6A4
SCHEMBL507542 0.84 CHRM1 (0.94) CHRM1KCNH2PTGS1SLC6A2SLC6A4
SCHEMBL507656 0.82 CHRM1 (0.81) CHRM1HDAC1HDAC8HDAC6KCNH2
SCHEMBL508335 0.81 CHRM1 (0.90) 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 4 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
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 1746/4885HDAC3 229/4885HDAC1 324/4885

“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.