SCHEMBL6833767

SCHEMBL6833767

O=[N+]([O-])c1c(C(F)(F)F)nc2ccccc2c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
MAPT P10636 5/20 0.41
RAB9A P51151 4/20 0.41
NPSR1 Q6W5P4 4/20 0.41
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 3/20 0.41
HTT P42858 3/20 0.41
LMNA P02545 2/20 0.41
TLR9 Q9NR96 2/20 0.41
MITF O75030 1/20 0.41
AGTR1 P30556 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
XBP1 P17861 2/20 0.40
PAX8 Q06710 1/20 0.40
CDK2 P24941 1/20 0.40
CYP3A4 P08684 1/20 0.40
HSPD1 P10809 1/20 0.40
HSPE1 P61604 1/20 0.40
ABCC8 Q09428 1/20 0.40

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
SCHEMBL6837842 0.82 S100A4 (0.50) MAPTRAB9ANPSR1ALDH1A1HTT
SCHEMBL29809325 0.80 MAOA (0.52) MAOAMAOBMAPTRAB9ANPSR1
SCHEMBL159319 0.80 MAOA (0.52) MAOAMAOBMAPTRAB9ANPSR1
SCHEMBL8561217 0.79 ABCC8 (0.43) MAOAMAPTRAB9ANPSR1ALDH1A1
SCHEMBL12518927 0.77 MAOA (0.48) MAOAMAOBMAPTRAB9ANPSR1
SCHEMBL28462683 0.77 MAOA (0.48) MAOAMAOBMAPTRAB9ANPSR1
SCHEMBL27879879 0.77 MAOA (0.48) MAOAMAOBMAPTRAB9ANPSR1
SCHEMBL13295171 0.77 MAOA (0.48) MAOAMAOBMAPTRAB9ANPSR1
SCHEMBL2047715 0.77 MAPT (0.49) MAOAMAOBMAPTRAB9ANPSR1
SCHEMBL13719712 0.73 MAOA (0.44) MAOAMAOBMAPTRAB9ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040054182-A1 1h-imidazopyridine derivatives HOKURIKU SEIYAKU CO., LTD. (JP) 2004-03-18 US disclosed
EP-1256582-A1 1H-IMIDAZOPYRIDINE DERIVATIVES HOKURIKU SEIYAKU CO., LTD. (JP) 2002-11-13 EP 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-20040054182-A1 1h-imidazopyridine derivatives IL2, IL1A, IL4 MAOA 3625/4885MAOB 3539/4885MAPT 4595/4885

“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.