SCHEMBL4352645

SCHEMBL4352645

COc1ccc(I)cc1-c1cc2c(c3c1CCN(C)C3)NC(=O)/C2=N/O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.36
KMT2A Q03164 4/20 0.36
GAA P10253 3/20 0.36
MEN1 O00255 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
CDYL Q9Y232 1/20 0.34
THRB P10828 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
CYP2D6 P10635 2/20 0.33
LRRK2 Q5S007 1/20 0.32
CYP2C19 P33261 1/20 0.31
GRIA1 P42261 1/20 0.31
GRIA2 P42262 1/20 0.31
GRIA3 P42263 1/20 0.31
GRIA4 P48058 1/20 0.31
PARP1 P09874 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
SCHEMBL4352647 1.00 MAPT (0.36) MAPTKMT2AGAAMEN1KDM4E
SCHEMBL3024239 0.89 CCNT1 (0.36) MAPTKMT2AGAAMEN1KDM4E
SCHEMBL8111928 0.89 CCNT1 (0.36) MAPTKMT2AGAAMEN1KDM4E
SCHEMBL3019834 0.89 HRH4 (0.37) MAPTKMT2AGAAMEN1KDM4E
SCHEMBL3013040 0.89 CCNT1 (0.36) MAPTKMT2AGAAMEN1KDM4E
SCHEMBL3019836 0.89 HRH4 (0.37) MAPTKMT2AGAAMEN1KDM4E
SCHEMBL4353183 0.88 PARP1 (0.35) MAPTKMT2AGAALRRK2PARP1
SCHEMBL4353181 0.88 PARP1 (0.35) MAPTKMT2AGAALRRK2PARP1
SCHEMBL14287095 0.87 CDYL (0.41) MAPTKMT2AGAAMEN1KDM4E
SCHEMBL14287091 0.87 MAPT (0.35) MAPTKMT2AGAAMEN1KDM4E

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-20090246134-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2009-10-01 US claimed
US-20090246134-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2009-10-01 US disclosed
US-20090246134-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2009-10-01 US disclosed
US-20090246134-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2009-10-01 US disclosed
WO-2008144931-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2008-12-04 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-20090246134-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS ASIC1, ASIC3, TRPV1 MAPT 2746/4885KMT2A 2801/4885GAA 640/4885

“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.