SCHEMBL867234

SCHEMBL867234

CC1([N+](=O)[O-])CN(Cc2ccccc2)C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.60
MAPT P10636 4/20 0.59
ALDH1A1 P00352 4/20 0.59
KDM4E B2RXH2 3/20 0.59
HTT P42858 2/20 0.59
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
TSHR P16473 1/20 0.51
APEX1 P27695 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
CYP2D6 P10635 1/20 0.47
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MC4R P32245 1/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
BACE1 P56817 1/20 0.44
NPBWR1 P48145 1/20 0.44
MCHR1 Q99705 1/20 0.44

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
SCHEMBL491199 0.93 ALDH1A1 (0.56) GAAMAPTALDH1A1KDM4EHTT
Hydrochloric Acid SCHEMBL29394763 0.84 MAPT (0.51) GAAMAPTALDH1A1KDM4EHTT
SCHEMBL12877586 0.79 HTT (0.45) GAAMAPTALDH1A1KDM4EHTT
SCHEMBL10990414 0.77 GAA (0.67) GAAMEN1KMT2ATSHRSIGMAR1
SCHEMBL16032835 0.75 ALDH1A1 (0.48) GAAMAPTALDH1A1KDM4EHTT
SCHEMBL16032837 0.75 ALDH1A1 (0.48) GAAMAPTALDH1A1KDM4EHTT
SCHEMBL491245 0.74 ALDH1A1 (0.54) GAAMAPTALDH1A1KDM4EHTT
SCHEMBL7436149 0.74 GAA (0.62) GAAMEN1KMT2ATSHRSIGMAR1
SCHEMBL28349386 0.74 GAA (0.62) GAAMEN1KMT2ATSHRSIGMAR1
SCHEMBL28612690 0.74 GAA (0.62) GAAMEN1KMT2ATSHRSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8278464-B2 Insecticides SYNGENTA CROP PROTECTION LLC (US) 2012-10-02 US disclosed
US-8278464-B2 Insecticides SYNGENTA CROP PROTECTION LLC (US) 2012-10-02 US disclosed
CN-101394742-B Anthranilamide derivatives and their use for the control of insects and acari SYNGENTA PARTICIPATIONS AG 2012-05-23 CN disclosed
US-20120077991-A1 NOVEL INSECTICIDES SYNGENTA CROP PROTECTION, LLC 2012-03-29 US disclosed
US-20120077991-A1 NOVEL INSECTICIDES SYNGENTA CROP PROTECTION, LLC 2012-03-29 US disclosed
US-8084474-B2 Insecticides SYNGENTA CROP PROTECTION, INC. (US) 2011-12-27 US disclosed
US-8084474-B2 Insecticides SYNGENTA CROP PROTECTION, INC. (US) 2011-12-27 US disclosed
EP-2213167-A1 Anthranilamide derivatives and their use for the control of insects and acari Syngenta Participations AG (CH) 2010-08-04 EP disclosed
EP-2213167-A1 Anthranilamide derivatives and their use for the control of insects and acari Syngenta Participations AG (CH) 2010-08-04 EP disclosed
US-20100168066-A1 NOVEL INSECTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-07-01 US disclosed
US-20100168066-A1 NOVEL INSECTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-07-01 US disclosed
CN-101394742-A Anthranilamide derivatives and their use for the control of insects and acari SYNGENTA PARTICIPATIONS AG (CH) 2009-03-25 CN disclosed
EP-1976385-A2 ANTHRANILAMIDE DERIVATIVES AND THEIR USE FOR THE CONTROL OF INSECTS AND ACARI Syngeta Participations AG (CH) 2008-10-08 EP disclosed
WO-2007080131-A2 ANTHRANILAMIDE DERIVATIVES AND THEIR USE FOR THE CONTROL OF INSECTS AND ACARI SYNGENTA PARTICIPATIONS AG (CH) 2007-07-19 WO disclosed
WO-2007080131-A2 ANTHRANILAMIDE DERIVATIVES AND THEIR USE FOR THE CONTROL OF INSECTS AND ACARI SYNGENTA PARTICIPATIONS AG (CH) 2007-07-19 WO 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-20120077991-A1 NOVEL INSECTICIDES DDT, CYP4F11, ACHE GAA 3060/4885MAPT 160/4885ALDH1A1 155/4885
US-20100168066-A1 NOVEL INSECTICIDES DDT, ACHE, CYP4F11 GAA 2476/4885MAPT 100/4885ALDH1A1 184/4885

“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.