SCHEMBL1987488

SCHEMBL1987488

CC(=O)NCC(C[N+](=O)[O-])c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.61
MTNR1B P49286 7/20 0.61
NPC1 O15118 3/20 0.48
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
CPA1 P15085 3/20 0.42
ADAM17 P78536 1/20 0.41
BCAT2 O15382 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
POLB P06746 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
SCHEMBL1986644 0.84 NPC1 (0.56) MTNR1AMTNR1BNPC1ALDH1A1CPA1
SCHEMBL1984199 0.81 MTNR1A (0.40) MTNR1AMTNR1BNPC1ALDH1A1CYP3A4
SCHEMBL27165021 0.80 KMT2A (0.49) MTNR1AMTNR1BNPC1ALDH1A1CYP3A4
SCHEMBL9753033 0.80 KMT2A (0.49) MTNR1AMTNR1BNPC1ALDH1A1CYP3A4
SCHEMBL809523 0.80 KMT2A (0.49) MTNR1AMTNR1BNPC1ALDH1A1CYP3A4
SCHEMBL3782099 0.79 MTNR1A (0.71) MTNR1AMTNR1BNPC1BCAT2MEN1
SCHEMBL4788685 0.78 NPC1 (0.55) NPC1ALDH1A1CYP3A4CPA1ADAM17
SCHEMBL28344702 0.78 KMT2A (0.42) MTNR1AMTNR1BNPC1ALDH1A1CYP3A4
SCHEMBL1985542 0.78 MTNR1A (0.69) MTNR1AMTNR1BNPC1BCAT2
SCHEMBL14361142 0.76 MTNR1A (0.67) MTNR1AMTNR1BALDH1A1BCAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MTNR1A 3535/4885MTNR1B 3691/4885NPC1 2046/4885

“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.