SCHEMBL4886961

SCHEMBL4886961

O=C(CO[C@@H]1COc2nc([N+](=O)[O-])cn2C1)Nc1nc(-c2ccc(OC(F)(F)F)cc2)cs1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.62
MAPT P10636 5/20 0.45
RAB9A P51151 4/20 0.45
TRPA1 O75762 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.42
NPC1 O15118 3/20 0.42
CSNK2A2 P19784 1/20 0.42
CSNK2B P67870 1/20 0.42
CSNK2A1 P68400 1/20 0.42
CSNK2A3 Q8NEV1 1/20 0.42
KCNH2 Q12809 4/20 0.41
MPL P40238 1/20 0.40
LMNA P02545 3/20 0.39
MRE11 P49959 2/20 0.39
HTT P42858 2/20 0.39
POLB P06746 1/20 0.39
NOD2 Q9HC29 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 3/20 0.38
USP2 O75604 2/20 0.38

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
SCHEMBL4886972 1.00 CHRM1 (0.62) CHRM1MAPTRAB9ATRPA1SMN1; SMN2
SCHEMBL4884286 0.86 CHRM1 (0.71) CHRM1MAPTSMN1; SMN2KCNH2HTT
SCHEMBL4884274 0.86 CHRM1 (0.71) CHRM1MAPTSMN1; SMN2KCNH2HTT
SCHEMBL4888446 0.84 CHRM1 (0.62) CHRM1MAPTCSNK2A2CSNK2BCSNK2A1
SCHEMBL14003995 0.84 CHRM1 (0.62) CHRM1MAPTCSNK2A2CSNK2BCSNK2A1
SCHEMBL4882751 0.82 CHRM1 (0.73) CHRM1NPC1KCNH2LMNA
SCHEMBL4882765 0.82 CHRM1 (0.73) CHRM1NPC1KCNH2LMNA
SCHEMBL4774882 0.79 CHRM1 (0.76) CHRM1MAPTKCNH2KDM4E
SCHEMBL4774874 0.79 CHRM1 (0.76) CHRM1MAPTKCNH2KDM4E
SCHEMBL508066 0.78 CHRM1 (0.94) CHRM1MAPTKCNH2ALDH1A1

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 3 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

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 1746/4885MAPT 2122/4885RAB9A 2812/4885

“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.