SCHEMBL1836860

SCHEMBL1836860

Cc1cc(Cn2nc(C(F)(F)C(F)(F)F)nc2-c2ncc(Cl)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
KLKB1 P03952 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
HTT P42858 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
NPC1 O15118 1/20 0.32
JAK2 O60674 1/20 0.32
RAB9A P51151 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
LMNA P02545 3/20 0.32
HPGD P15428 1/20 0.32
FGFR4 P22455 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
SCHEMBL1835904 0.93 KLKB1 (0.34) ALDH1A1GAAKLKB1SMN1; SMN2HTT
SCHEMBL1831366 0.91 FGFR4 (0.41) ALDH1A1GAASMN1; SMN2CYP1A2CYP3A4
SCHEMBL2161150 0.86 SLC5A2 (0.36) ALDH1A1GAASMN1; SMN2HTTNPSR1
SCHEMBL1837534 0.84 FGFR4 (0.43) ALDH1A1GAASMN1; SMN2CYP1A2CYP3A4
SCHEMBL1835230 0.84 KLKB1 (0.36) GAAKLKB1SMN1; SMN2NPSR1LMNA
SCHEMBL1831470 0.84 LMNA (0.40) ALDH1A1GAASMN1; SMN2CYP1A2CYP3A4
SCHEMBL1833287 0.82 HPGD (0.34) ALDH1A1GAACYP1A2CYP2D6CYP2C19
SCHEMBL1832172 0.82 HPGD (0.35) ALDH1A1SMN1; SMN2CYP1A2CYP2D6CYP2C19
SCHEMBL1836419 0.81 DCTPP1 (0.35) ALDH1A1GAAHTTLMNAHPGD
SCHEMBL2161294 0.81 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2CYP1A2CYP2D6CYP2C19

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 ALDH1A1 928/4885GAA 4457/4885KLKB1 4858/4885

“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.