SCHEMBL1833650

SCHEMBL1833650

Cc1cc(Cn2nc(C(F)(F)C(F)(F)F)cc2C(=O)C(F)(F)F)ccc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
GRN P28799 4/20 0.39
SORT1 Q99523 4/20 0.39
NPSR1 Q6W5P4 5/20 0.38
MAPK1 P28482 3/20 0.38
MAPT P10636 3/20 0.38
GAA P10253 4/20 0.37
HTR1E P28566 1/20 0.36
S1PR3 Q99500 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
AGTR1 P30556 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34

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
SCHEMBL2889650 0.81 SKP2 (0.36) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL2161565 0.80 GRIA2 (0.41) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL1832434 0.77 ADORA3 (0.33) ADORA3ADORA2AADORA2BADORA1
SCHEMBL1833387 0.76 ADORA3 (0.32) ADORA3ADORA2AADORA2BADORA1
SCHEMBL1833928 0.76 ADORA3 (0.32) ADORA3ADORA2AADORA2BADORA1
SCHEMBL2161783 0.72 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL12402161 0.72 HPGD (0.46) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL1833676 0.72 KLKB1 (0.49)
SCHEMBL1832575 0.72 ADORA3 (0.35) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL2161113 0.72 ADORA3 (0.38) ALDH1A1MAPTGAAMEN1KMT2A

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 928/4885GRN 4840/4885SORT1 4860/4885

“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.