SCHEMBL1985002

SCHEMBL1985002

CC(C)(C)C1COC(c2cccc(N)c2C2=NC(C(C)(C)C)CO2)=N1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CNR2 P34972 1/20 0.33
CYP2D6 P10635 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
P2RY1 P47900 1/20 0.33
HTR2B P41595 1/20 0.30
TMEM97 Q5BJF2 1/20 0.30

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
SCHEMBL28662764 0.87 MAPT (0.38) NPC1MAPTRAB9ASMN1; SMN2CNR2
SCHEMBL27848741 0.87 MAPT (0.38) NPC1MAPTRAB9ASMN1; SMN2CNR2
SCHEMBL12017252 0.76 RAB9A (0.38) NPC1MAPTRAB9ASMN1; SMN2CNR2
SCHEMBL28688006 0.75 RAB9A (0.38) NPC1MAPTRAB9ASMN1; SMN2CNR2
SCHEMBL28703889 0.75 RAB9A (0.38) NPC1MAPTRAB9ASMN1; SMN2CNR2
SCHEMBL14498459 0.75 MAPT (0.38) NPC1MAPTRAB9ASMN1; SMN2CNR2
SCHEMBL28688009 0.75 RAB9A (0.38) NPC1MAPTRAB9ASMN1; SMN2CNR2
SCHEMBL394878 0.74 P2RY1 (0.37) NPC1MAPTRAB9ASMN1; SMN2CNR2
SCHEMBL29041263 0.72 TSHR (0.40) NPC1MAPTRAB9ASMN1; SMN2CNR2
SCHEMBL30537924 0.72 TSHR (0.40) NPC1MAPTRAB9ASMN1; SMN2CNR2

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 NPC1 2046/4885MAPT 365/4885RAB9A 4063/4885

“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.