SCHEMBL1837637

SCHEMBL1837637

Cc1nc(Cn2nc(C(F)(F)F)cc2C(F)(F)F)c([N+](=O)[O-])cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 1/20 0.36
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
GAA P10253 1/20 0.32
PTGS1 P23219 1/20 0.32
LMNA P02545 4/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
NCOR2 Q9Y618 1/20 0.31

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
SCHEMBL1833577 0.91 GRIA2 (0.36) GRIA2CYP1A2CYP2C19GAAPTGS1
SCHEMBL12402574 0.90 CYP1A2 (0.40) CYP1A2CYP2C19GAALMNAALDH1A1
SCHEMBL12402563 0.81 CYP1A2 (0.40) CYP1A2CYP2C19GAALMNAALDH1A1
SCHEMBL1836575 0.80 KDM4E (0.38) GRIA2CYP1A2LMNAKDM4EL3MBTL1
SCHEMBL1187287 0.78 GRIA2 (0.39) GRIA2GAAPTGS1LMNAMAPT
SCHEMBL1835902 0.75 CYP1A2 (0.37) GRIA2CYP1A2CYP2C19GAAPTGS1
SCHEMBL1834317 0.75 KDM4E (0.38) GRIA2CYP1A2LMNAKDM4EL3MBTL1
SCHEMBL1833356 0.74 GRIA2 (0.46) GRIA2GAALMNAMAPTHDAC3
SCHEMBL1847214 0.74 ALDH1A1 (0.37) GRIA2CYP1A2CYP2C19GAALMNA
SCHEMBL1835146 0.74 TDP1 (0.41) GRIA2CYP1A2CYP2C19GAAMAPT

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-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative BAYER CROPSCIENCE AG (DE) 2011-07-28 US disclosed
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative BAYER CROPSCIENCE AG (DE) 2011-07-28 US disclosed
EP-2318374-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE Bayer CropScience AG (DE) 2011-05-11 EP disclosed
WO-2010012442-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE BAYER CROPSCIENCE AG (DE) 2010-02-04 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 (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-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative DDT, BRD9, BCL2A1 GRIA2 3485/4885CYP1A2 168/4885CYP2C19 340/4885

“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.