SCHEMBL1836487

SCHEMBL1836487

Cc1cc(Cc2noc(C(F)(F)C(F)(F)F)n2)ccc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 2/20 0.35
HTT P42858 1/20 0.35
TSHR P16473 2/20 0.34
NR3C1 P04150 1/20 0.34
PGR P06401 1/20 0.34
AR P10275 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HPGD P15428 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
SCHEMBL2161399 0.93 NPC1 (0.37) NPC1RAB9AMAPTHTTTSHR
SCHEMBL1836408 0.91 NPC1 (0.40) NPC1RAB9AMAPTHTTTSHR
SCHEMBL1828519 0.81 MAPT (0.38) NPC1RAB9AMAPTHTTTSHR
SCHEMBL2161509 0.81 POLB (0.43) NPC1RAB9AMAPTTSHRMEN1
SCHEMBL2170567 0.80 SKP2 (0.36) NPC1RAB9AMAPTHTTTSHR
SCHEMBL1829024 0.78 MAPT (0.35) NPC1RAB9AMAPTTSHRNR3C1
SCHEMBL1833851 0.77 MAPT (0.38) NPC1RAB9AMAPTTSHRNR3C1
SCHEMBL1830804 0.76 MAPT (0.39) NPC1RAB9AMAPTTSHRNR3C1
SCHEMBL1827823 0.74 MAPT (0.34) NPC1RAB9AMAPTTSHRNR3C1
SCHEMBL1831884 0.74 POLB (0.33) NPC1RAB9AMAPTTSHRNR3C1

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 4 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

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 NPC1 2992/4885RAB9A 405/4885MAPT 4079/4885

“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.