SCHEMBL1835101

SCHEMBL1835101

CCOC(=O)C(c1ccc([N+](=O)[O-])c(C)c1)n1nc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.36
MAPT P10636 4/20 0.36
ALDH1A1 P00352 4/20 0.35
TSHR P16473 1/20 0.34
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
ALOX5 P09917 1/20 0.34
PTGS1 P23219 1/20 0.34
LMNA P02545 4/20 0.33
POLB P06746 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
GAA P10253 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL12402804 0.91 MAPT (0.37) SMN1; SMN2MAPTALDH1A1TSHRKMT2A
SCHEMBL1832263 0.87 MAPT (0.43) SMN1; SMN2MAPTALDH1A1L3MBTL1PTGS1
SCHEMBL12467329 0.84 KDM4E (0.33) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL1834907 0.82 MAPT (0.36) SMN1; SMN2MAPTALDH1A1TSHRKMT2A
SCHEMBL2184189 0.79 MAPT (0.33) MAPTALDH1A1TSHRPTGS1LMNA
SCHEMBL12402806 0.74 KDM4E (0.36) MAPTALDH1A1TSHRKMT2AMEN1
SCHEMBL3726022 0.72 TSHR (0.49) SMN1; SMN2MAPTALDH1A1TSHRKMT2A
SCHEMBL2527072 0.71 TSHR (0.48) SMN1; SMN2MAPTALDH1A1TSHRKMT2A
SCHEMBL1834025 0.70 TSHR (0.46) SMN1; SMN2MAPTALDH1A1TSHRKMT2A
SCHEMBL1831803 0.69 TRPC3 (0.50) TSHRL3MBTL1ALOX5PTGS1LMNA

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 SMN1; SMN2 3421/4885MAPT 4079/4885ALDH1A1 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.