SCHEMBL3218905

SCHEMBL3218905

C#C[CH]c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.53
FBP1 P09467 2/20 0.52
MAPT P10636 3/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
METAP1 P53582 1/20 0.47
PTGS2 P35354 2/20 0.46
PTGS1 P23219 1/20 0.46
CYP19A1 P11511 1/20 0.46
ALDH1A1 P00352 3/20 0.45
ACHE P22303 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43

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
SCHEMBL10836804 0.80 APP (0.60) APPFBP1MAPTNPC1RAB9A
SCHEMBL10836802 0.80 APP (0.60) APPFBP1MAPTNPC1RAB9A
SCHEMBL7872453 0.79 APP (0.53) APPFBP1MAPTNPC1RAB9A
SCHEMBL3223970 0.77 NFE2L2 (0.59) FBP1MAPTNPC1RAB9AMETAP1
SCHEMBL638147 0.76 APP (0.59) APPFBP1MAPTNPC1RAB9A
SCHEMBL14947048 0.75 APP (0.78) APPFBP1MAPTNPC1RAB9A
SCHEMBL458178 0.75 APP (0.78) APPFBP1MAPTNPC1RAB9A
SCHEMBL439935 0.75 APP (0.64) APPFBP1MAPTNPC1RAB9A
SCHEMBL458177 0.75 APP (0.78) APPFBP1MAPTNPC1RAB9A
SCHEMBL9170800 0.75 APP (0.78) APPFBP1MAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069244-A1 Pyridine Compounds for Combating Pests BASF SE (DE) 2010-03-18 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-20100069244-A1 Pyridine Compounds for Combating Pests CHRM1, PRDX1, CHRM2 APP 1930/4885FBP1 493/4885MAPT 4388/4885

“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.