SCHEMBL4549451

SCHEMBL4549451

Cc1ccc(-n2nc(-c3ccc([N+](=O)[O-])cc3)nc2C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.58
ALDH1A1 P00352 6/20 0.58
POLB P06746 3/20 0.58
TDP1 Q9NUW8 1/20 0.58
LMNA P02545 6/20 0.54
HTT P42858 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ACHE P22303 1/20 0.50
HSD17B10 Q99714 1/20 0.50
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
CASP3 P42574 2/20 0.47
SENP7 Q9BQF6 2/20 0.47
SENP6 Q9GZR1 2/20 0.47
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47

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
SCHEMBL22916066 0.83 HTT (0.50) MAPTALDH1A1POLBTDP1LMNA
SCHEMBL6320995 0.79 TDP1 (0.67) MAPTALDH1A1POLBTDP1LMNA
SCHEMBL11073261 0.77 TDP1 (0.63) MAPTALDH1A1POLBTDP1LMNA
SCHEMBL16073060 0.75 HTT (0.51) MAPTALDH1A1POLBTDP1LMNA
SCHEMBL16089344 0.75 HTT (0.51) MAPTALDH1A1POLBTDP1LMNA
SCHEMBL11065466 0.74 TDP1 (0.60) MAPTALDH1A1POLBTDP1LMNA
SCHEMBL5430134 0.74 PTGS1 (0.80) LMNA
SCHEMBL1820467 0.73 TDP1 (1.00) MAPTALDH1A1POLBTDP1LMNA
SCHEMBL15559375 0.73 ACHE (0.51) MAPTALDH1A1POLBLMNAL3MBTL1
SCHEMBL6582516 0.73 NPY5R (0.76) MAPTALDH1A1LMNAHTTL3MBTL1

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-8178658-B2 Insecticide (against arthropods), nematocide; use against pesticide-resistant pests; use on plants and animals; Compounds are tetrahydropyrans substituted with an aryl-heteroaryl-aryl-containing group DOW AGROSCIENCES, LLC (US) 2012-05-15 US disclosed
US-20090209476-A1 Insecticide (against arthropods), nematocide; use against pesticide-resistant pests; use on plants and animals; Compounds are tetrahydropyrans substituted with an aryl-heteroaryl-aryl-containing group DOW AGROSCIENCES LLC (US) 2009-08-20 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-20090209476-A1 Insecticide (against arthropods), nematocide; use against pesticide-resistant pests; use on plants and animals; Compounds are tetrahydropyrans substituted with an aryl-heteroaryl-aryl-containing group DDT, ACHE, NANP MAPT 2297/4885ALDH1A1 2110/4885POLB 4778/4885

“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.