SCHEMBL1835510

SCHEMBL1835510

Cc1cc(Cn2cc(C(=O)Nc3ccc(C(F)(F)F)cc3)c(C(F)(F)C(F)(F)F)n2)ccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.45
TRPV1 Q8NER1 1/20 0.42
HIF1A Q16665 1/20 0.42
KLKB1 P03952 5/20 0.42
LMNA P02545 3/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
NR3C1 P04150 1/20 0.41
KLK1 P06870 1/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
P2RX1 P51575 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL1834128 0.94 P2RX1 (0.48) PTGDR2KLKB1LMNAPOLBHPGD
SCHEMBL1835631 0.90 KMT2A (0.43) KLKB1LMNAHPGDMAPTMEN1
SCHEMBL1833667 0.90 AR (0.41) PTGDR2KLKB1LMNAPOLBHTT
SCHEMBL1838410 0.89 P2RX1 (0.50) KLKB1LMNAPOLBKLK1P2RX1
SCHEMBL1832795 0.85 PTGDR2 (0.45) PTGDR2KLKB1LMNAPOLBNR3C1
SCHEMBL1835796 0.84 TSHR (0.41) KLKB1LMNAHPGDHTTKLK1
Hydrochloric Acid SCHEMBL1833166 0.83 TSHR (0.41) KLKB1LMNAHPGDHTTKLK1
SCHEMBL1833163 0.83 KLKB1 (0.41) KLKB1LMNAHPGDHTTKLK1
SCHEMBL1834948 0.81 GRM2 (0.46) KLKB1LMNAPOLBHPGDKLK1
SCHEMBL1833795 0.80 KLKB1 (0.51) KLKB1KLK1

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 5 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
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 PTGDR2 2550/4885TRPV1 144/4885HIF1A 4294/4885

“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.