SCHEMBL1983010

SCHEMBL1983010

NCC(CNC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.63
RAB9A P51151 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
GABBR2 O75899 2/20 0.54
GABBR1 Q9UBS5 2/20 0.54
EPHX2 P34913 2/20 0.54
GAA P10253 2/20 0.52
GPR139 Q6DWJ6 1/20 0.48
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
TACR1 P25103 1/20 0.46
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
BCAT2 O15382 1/20 0.44

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
SCHEMBL20773797 0.84 GABBR2 (0.59) NPC1RAB9ASMN1; SMN2GABBR2GABBR1
SCHEMBL7968837 0.82 SMN1; SMN2 (0.61) NPC1RAB9ASMN1; SMN2EPHX2GAA
SCHEMBL6203013 0.82 SMN1; SMN2 (0.61) NPC1RAB9ASMN1; SMN2EPHX2GAA
SCHEMBL1985542 0.81 MTNR1A (0.69) NPC1RAB9ASMN1; SMN2GABBR2GABBR1
SCHEMBL1924138 0.81 NPC1 (0.59) NPC1RAB9ASMN1; SMN2EPHX2GAA
SCHEMBL31530566 0.80 NPC1 (0.73) NPC1RAB9ASMN1; SMN2EPHX2GAA
SCHEMBL28341767 0.79 NPC1 (0.62) NPC1RAB9ASMN1; SMN2EPHX2GAA
SCHEMBL21523029 0.79 NPC1 (0.67) NPC1RAB9ASMN1; SMN2EPHX2GAA
SCHEMBL4982059 0.79 NPC1 (0.67) NPC1RAB9ASMN1; SMN2EPHX2GAA
SCHEMBL1986644 0.78 NPC1 (0.56) NPC1RAB9ASMN1; SMN2EPHX2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790900-B2 Method for producing an optically active nitro compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-07 US claimed
EP-2055689-B1 Method for producing an optically active nitro compound SUMITOMO CHEMICAL CO (JP) 2011-06-29 EP disclosed
US-7790900-B2 Method for producing an optically active nitro compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-07 US disclosed
EP-2055689-A1 Method for producing an optically active nitro compound Sumitomo Chemical Company, Limited (JP) 2009-05-06 EP disclosed
EP-1641740-B1 METHOD FOR PRODUCING AN OPTICALLY ACTIVE NITRO COMPOUND SUMITOMO CHEMICAL CO (JP) 2009-03-25 EP disclosed
US-20070037976-A1 such as 1-amino-2-phenylpropane by reacting unsaturated nitroolefin with organosilicon compounds such as poly(methylhydrosiloxane) and phenylsilane, in presence of asymmetric copper complex having phosphine ligand SUMITOMO CHEMICAL COMPANY, LIMITED ERICK M. CARREIRA 2007-02-15 US disclosed
EP-1641740-A1 METHOD FOR PRODUCING AN OPTICALLY ACTIVE NITRO COMPOUND Sumitomo Chemical Company, Limited (JP) 2006-04-05 EP disclosed
WO-2004103951-A1 METHOD FOR PRODUCING AN OPTICALLY ACTIVE NITRO COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-12-02 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-20070037976-A1 such as 1-amino-2-phenylpropane by reacting unsaturated nitroolefin with organosilicon compounds such as poly(methylhydrosiloxane) and phenylsilane, in presence of asymmetric copper complex having phosphine ligand L1CAM, SPATS2L, AAAS NPC1 2046/4885RAB9A 4063/4885SMN1; SMN2 950/4885

“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.