SCHEMBL11029476

SCHEMBL11029476

O=C(NNc1ccc(C(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.56
ALDH1A1 P00352 7/20 0.56
MAPT P10636 7/20 0.56
GAA P10253 4/20 0.56
KMT2A Q03164 7/20 0.55
MEN1 O00255 4/20 0.55
HPGD P15428 2/20 0.55
LMNA P02545 1/20 0.55
PKM P14618 1/20 0.55
ALOX12 P18054 1/20 0.54
HTT P42858 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
POLB P06746 3/20 0.54
MAPK1 P28482 2/20 0.52
RXFP1 Q9HBX9 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
PHGDH O43175 1/20 0.49
MITF O75030 1/20 0.49
KDM4E B2RXH2 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL11972898 0.85 RAB9A (0.68) ABCG2MAPTKMT2AMEN1HTT
SCHEMBL13428706 0.85 RAB9A (0.68) ABCG2MAPTKMT2AMEN1HTT
SCHEMBL29048919 0.85 KIF11 (0.58) ABCG2ALDH1A1MAPTGAAKMT2A
SCHEMBL22323602 0.84 KMT2A (0.52) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL11683163 0.82 PTGS2 (0.73) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL28871755 0.82 ALDH1A1 (0.72) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL11779561 0.82 PTGS2 (0.66) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL11135287 0.82 KMT2A (0.71) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL5081837 0.82 L3MBTL1 (0.62) ALDH1A1MAPTGAALMNAPOLB
SCHEMBL11029480 0.81 KMT2A (0.51) ABCG2ALDH1A1MAPTGAAKMT2A

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-8927729-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2015-01-06 US disclosed
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

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-20120190543-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, AADAC ABCG2 1643/4885ALDH1A1 2867/4885MAPT 3486/4885

“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.