SCHEMBL4549488

SCHEMBL4549488

O=C1CN(c2ccc([N+](=O)[O-])cc2)C(=O)CN1c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
PGR P06401 1/20 0.45
PSD A5PKW4 1/20 0.43
TP53 P04637 1/20 0.41
CASP3 P42574 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
CTSG P08311 1/20 0.41
CMA1 P23946 1/20 0.41
POLB P06746 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL11942631 0.89 POLB (0.47) MAPTMEN1KMT2ACYP1A2CYP2D6
SCHEMBL16369482 0.85 MEN1 (0.50) MAPTMEN1KMT2ACYP1A2CYP2D6
SCHEMBL693976 0.83 HSPB1 (0.55) MAPTMEN1KMT2APGRPSD
SCHEMBL11942626 0.82 POLB (0.62) MAPTPGRPOLBALDH1A1GAA
SCHEMBL4549483 0.81 MAPT (0.43) MAPTMEN1KMT2ACYP1A2CYP2D6
SCHEMBL1257933 0.80 POLB (0.43) MAPTMEN1KMT2ACYP1A2CYP2D6
SCHEMBL1258016 0.80 MAPT (0.43) MAPTMEN1KMT2ACYP1A2CYP2D6
SCHEMBL15576793 0.79 LIPE (0.51) HTTPOLBLIPEL3MBTL1PPARG
SCHEMBL1241412 0.78 HSPB1 (0.65) MAPTMEN1KMT2APGRTP53
SCHEMBL1242136 0.78 PGR (0.52) MAPTMEN1KMT2APGRPSD

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-8674109-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2014-03-18 US disclosed
US-20120190543-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-07-26 US disclosed
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 (2 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 2297/4885MEN1 4826/4885KMT2A 2528/4885
US-20120190543-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, AADAC MAPT 3486/4885MEN1 2972/4885KMT2A 390/4885

“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.