SCHEMBL1833667

SCHEMBL1833667

Cc1cc(Cn2cc(C(=O)Nc3ccc(C(F)(F)F)c(C(F)(F)F)c3)c(C(F)(F)C(F)(F)F)n2)ccc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.41
LMNA P02545 3/20 0.41
CYP3A4 P08684 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CES2 O00748 1/20 0.41
ABCB11 O95342 1/20 0.41
CYP1A2 P05177 1/20 0.41
GLA P06280 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CHRM1 P11229 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
TBXA2R P21731 1/20 0.41
AADAC P22760 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
ADRA1A P35348 1/20 0.41
HTT P42858 1/20 0.41
HTR6 P50406 1/20 0.41

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
SCHEMBL1835510 0.90 PTGDR2 (0.45) LMNAHTTSMN1; SMN2KLKB1KLK1
SCHEMBL1834128 0.89 P2RX1 (0.48) LMNAHTTKLKB1KLK1MAPT
SCHEMBL1835631 0.86 KMT2A (0.43) LMNAALDH1A1KLKB1KMT2AMAPT
SCHEMBL2161265 0.86 KLKB1 (0.44) LMNAKLKB1KLK1PTGDR2POLB
SCHEMBL1838410 0.83 P2RX1 (0.50) LMNAKLKB1KLK1POLB
SCHEMBL1835796 0.83 TSHR (0.41) LMNATSHRHTTSMN1; SMN2KLKB1
SCHEMBL1833163 0.82 KLKB1 (0.41) LMNATSHRHTTSMN1; SMN2KLKB1
Hydrochloric Acid SCHEMBL1833166 0.82 TSHR (0.41) LMNATSHRHTTSMN1; SMN2KLKB1
SCHEMBL2884044 0.81 HPGD (0.36) ARLMNASMN1; SMN2KLKB1KLK1
SCHEMBL2161860 0.81 KLKB1 (0.48) LMNAKLKB1KLK1POLB

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 AR 3313/4885LMNA 1928/4885CYP3A4 196/4885

“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.