SCHEMBL3977038

SCHEMBL3977038

COc1ccc(Cn2cc(SC(F)(Cl)Cl)cn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
HSP90AA1 P07900 2/20 0.41
HSP90AB1 P08238 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
NPBWR1 P48145 2/20 0.40
KLKB1 P03952 5/20 0.39
PTGIR P43119 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
CMA1 P23946 1/20 0.38
PDE1A P54750 1/20 0.38
PDE1B Q01064 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
SCHEMBL22353100 0.79 HSP90AA1 (0.52) L3MBTL1HSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL27901467 0.77 L3MBTL1 (0.53) L3MBTL1HSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL17385332 0.76 MAPT (0.50) L3MBTL1HSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL13723406 0.74 L3MBTL1 (0.68) L3MBTL1HSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL13254189 0.74 MEN1 (0.55) L3MBTL1HSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL2185565 0.74 ACHE (0.30)
SCHEMBL22951371 0.73 HSP90AA1 (0.58) L3MBTL1HSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL16093363 0.73 L3MBTL1 (0.50) L3MBTL1HSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL671859 0.73 L3MBTL1 (0.50) L3MBTL1HSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL165409 0.73 MEN1 (0.69) L3MBTL1HSP90AA1HSP90AB1MEN1KMT2A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101538243-B Malononitrile compounds and their use SUMITOMO CHEMICAL CO 2012-05-09 CN disclosed
CN-101544606-B Malononitrile compound and use thereof SUMITOMO CHEMICAL CO 2012-02-29 CN disclosed
CN-1910147-B Malononitrile compounds and their use SUMITOMO CHEMICAL CO 2011-04-20 CN disclosed
CN-101544606-A Malononitrile compound and use thereof SUMITOMO CHEMICAL CO 2009-09-30 CN disclosed
CN-101538243-A Malononitrile compound and use thereof SUMITOMO CHEMICAL CO 2009-09-23 CN disclosed
US-7541374-B2 Malononitrile compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-02 US disclosed
US-7541374-B2 Malononitrile compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-02 US disclosed
US-20070117854-A1 Malononitrile compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-24 US disclosed
US-20070117854-A1 Malononitrile compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-24 US disclosed
US-20070117854-A1 Malononitrile compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-24 US disclosed
CN-1910147-A Malononitrile compounds and their use SUMITOMO CHEMICAL CO (JP) 2007-02-07 CN 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-20070117854-A1 Malononitrile compounds and use thereof ME1, DDT, CYP51A1 L3MBTL1 704/4885HSP90AA1 2374/4885HSP90AB1 2825/4885

“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.