SCHEMBL1832898

SCHEMBL1832898

Cc1cc(Cn2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cn2)ccc1N

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.46
TEK Q02763 2/20 0.41
KDR P35968 1/20 0.41
ALK Q9UM73 1/20 0.40
EPHB4 P54760 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
ADORA2B P29275 5/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ADORA2A P29274 3/20 0.39
ADORA1 P30542 3/20 0.39
ADORA3 P0DMS8 1/20 0.39
CREBBP Q92793 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL2889785 0.80 MAPT (0.43) LMNAMAPTL3MBTL1CREBBPMEN1
SCHEMBL1834733 0.79 ALDH1A1 (0.39) LMNAMAPTL3MBTL1MEN1KMT2A
SCHEMBL2161666 0.77 HSP90AA1 (0.34) KCNH2TEKKDRMEN1KMT2A
SCHEMBL1834249 0.77 NPC1 (0.45) KCNH2LMNAMAPTMEN1KMT2A
SCHEMBL5906282 0.76 KLKB1 (0.48) KCNH2LMNAMAPTMEN1KMT2A
SCHEMBL5905863 0.74 POLB (0.58) MAPTADORA2BL3MBTL1ADORA2AADORA1
SCHEMBL1828348 0.74 HDAC6 (0.46) LMNAMAPTL3MBTL1KMT2A
SCHEMBL2161054 0.72 RORC (0.41) KCNH2TEKKDREPHB4
SCHEMBL1835920 0.72 SMN1; SMN2 (0.36) LMNAADORA2BADORA2AADORA1ADORA3
SCHEMBL1832735 0.72 F11 (0.33) KCNH2

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 KCNH2 84/4885TEK 4664/4885KDR 2178/4885

“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.