SCHEMBL1837840

SCHEMBL1837840

O=[N+]([O-])c1ccc(Cn2nc(C(F)(F)F)cc2C(F)(F)F)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.43
RXRA P19793 1/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
PTGS2 P35354 1/20 0.38
ALDH1A1 P00352 4/20 0.36
HIF1A Q16665 1/20 0.36
GRIA2 P42262 1/20 0.36
MAPK1 P28482 1/20 0.35
POLB P06746 2/20 0.35
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PAX8 Q06710 1/20 0.34
ALPL P05186 1/20 0.34
ALPI P09923 1/20 0.34

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
SCHEMBL1833504 0.82 PTGS1 (0.46) PTGS1CYP1A2CYP2C19PTGS2ALDH1A1
SCHEMBL1835902 0.78 CYP1A2 (0.37) PTGS1RXRANR1H2NR1H3CYP1A2
SCHEMBL1830636 0.77 CYP1A2 (0.39) PTGS1NR1H2NR1H3CYP1A2CYP2C19
SCHEMBL1835146 0.74 TDP1 (0.41) RXRANR1H2NR1H3CYP1A2CYP2C19
SCHEMBL27938551 0.71 LMNA (0.49) CYP1A2CYP2C19ALDH1A1HIF1AKMT2A
SCHEMBL1837637 0.71 GRIA2 (0.36) PTGS1CYP1A2CYP2C19ALDH1A1GRIA2
SCHEMBL1833577 0.71 GRIA2 (0.36) PTGS1CYP1A2CYP2C19ALDH1A1GRIA2
SCHEMBL1833356 0.70 GRIA2 (0.46) ALDH1A1GRIA2POLBKMT2ALMNA
SCHEMBL29202437 0.70 CYP1A2 (0.39) CYP1A2CYP2C19ALDH1A1HIF1APOLB
SCHEMBL5212572 0.70 PTGS1 (0.66) PTGS1PTGS2POLB

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-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 PTGS1 3240/4885RXRA 1753/4885NR1H2 1660/4885

“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.