SCHEMBL1834948

SCHEMBL1834948

CCOC(=O)c1cn(Cc2ccc([N+](=O)[O-])c(C)c2)nc1C(F)(F)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.46
POLB P06746 2/20 0.38
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 2/20 0.38
GALR2 O43603 1/20 0.38
MITF O75030 1/20 0.38
HSP90AA1 P07900 1/20 0.38
XBP1 P17861 1/20 0.38
CCR6 P51684 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KLKB1 P03952 7/20 0.37
KLK1 P06870 1/20 0.37
GSTP1 P09211 1/20 0.36
GSTM2 P28161 1/20 0.36
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL1832027 0.93 GRM2 (0.52) GRM2POLBSMN1; SMN2KLKB1KLK1
SCHEMBL1835796 0.88 TSHR (0.41) SMN1; SMN2LMNAHPGDKLKB1KLK1
Hydrochloric Acid SCHEMBL1833166 0.87 TSHR (0.41) SMN1; SMN2LMNAHPGDKLKB1KLK1
SCHEMBL1833163 0.87 KLKB1 (0.41) SMN1; SMN2LMNAHPGDKLKB1KLK1
SCHEMBL12467868 0.82 KLKB1 (0.37) ALDH1A1SMN1; SMN2LMNAKLKB1KLK1
SCHEMBL1832574 0.81 TSHR (0.36) LMNAHPGDHSP90AA1NPSR1KLKB1
SCHEMBL1835631 0.81 KMT2A (0.43) ALDH1A1LMNAHPGDHSP90AA1NPSR1
SCHEMBL1831458 0.81 KLKB1 (0.45) KLKB1KLK1
SCHEMBL1835510 0.81 PTGDR2 (0.45) POLBSMN1; SMN2LMNAHPGDKLKB1
SCHEMBL1831113 0.81 LMNA (0.35) SMN1; SMN2LMNAHPGDHSP90AA1KLKB1

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 GRM2 3280/4885POLB 4574/4885ALDH1A1 928/4885

“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.