SCHEMBL3532948

SCHEMBL3532948

CC(CN)c1ccc(Cl)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
MAOB P27338 1/20 0.37
TAAR1 Q96RJ0 2/20 0.36
APLNR P35414 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPK1 P28482 1/20 0.36
ADRA2A P08913 2/20 0.35
ADRA2B P18089 2/20 0.35
ADRA2C P18825 2/20 0.35
PLAU P00749 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
BRD4 O60885 1/20 0.34
KMO O15229 1/20 0.34
PTK2 Q05397 1/20 0.33
NPC1 O15118 1/20 0.33
THRB P10828 1/20 0.33

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
Hydrochloric Acid SCHEMBL3572257 0.98 ESR1 (0.38) ESR1ESR2MAOBTAAR1APLNR
SCHEMBL13104799 0.82 MAPT (0.42) ESR1ESR2APLNRL3MBTL1MAPK1
SCHEMBL19464637 0.82 MAPT (0.42) ESR1ESR2APLNRL3MBTL1MAPK1
SCHEMBL13677282 0.82 MAPT (0.42) ESR1ESR2APLNRL3MBTL1MAPK1
SCHEMBL24501229 0.81 ESR1 (0.42) ESR1ESR2APLNRL3MBTL1MAPK1
SCHEMBL22808233 0.79 L3MBTL1 (0.48) ESR1ESR2APLNRL3MBTL1MAPK1
SCHEMBL17622922 0.78 MAOB (0.38) MAOBADRA2AADRA2BADRA2CPLAU
SCHEMBL4337075 0.78 ADRB2 (0.46) APLNRL3MBTL1MAPK1ADRA2AADRA2B
SCHEMBL4323766 0.78 ADRB2 (0.46) APLNRL3MBTL1MAPK1ADRA2AADRA2B
SCHEMBL27248091 0.78 ADRA2A (0.38) ESR1ESR2MAOBAPLNRL3MBTL1

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-7790900-B2 Method for producing an optically active nitro compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-07 US claimed
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

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 ESR1 203/4885ESR2 355/4885MAOB 3571/4885

“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.