SCHEMBL3038889

SCHEMBL3038889

NC(c1ccc2ccccc2c1)C(N)c1ccc2ccccc2c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.56
SLC6A2 P23975 8/20 0.51
SLC6A4 P31645 8/20 0.51
SLC6A3 Q01959 8/20 0.51
CYP3A4 P08684 6/20 0.51
KCNH2 Q12809 5/20 0.51
CYP2D6 P10635 5/20 0.51
ALDH1A1 P00352 1/20 0.48
HSD17B10 Q99714 1/20 0.48
DPP4 P27487 2/20 0.48
AOC3 Q16853 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.47
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45

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
SCHEMBL12569123 1.00 UGT2B7 (0.56) UGT2B7SLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL12568798 1.00 UGT2B7 (0.56) UGT2B7SLC6A2SLC6A4SLC6A3CYP3A4
Hydrochloric Acid SCHEMBL30098228 0.98 UGT2B7 (0.54) UGT2B7SLC6A2SLC6A4SLC6A3CYP3A4
Hydrochloric Acid SCHEMBL15670176 0.98 UGT2B7 (0.54) UGT2B7SLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL15541428 0.87 UGT2B7 (0.59) UGT2B7SLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL10359867 0.85 UGT2B7 (0.56) UGT2B7SLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL15614046 0.85 UGT2B7 (0.56) UGT2B7SLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL12018283 0.82 SLC6A2 (0.63) UGT2B7SLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL25434816 0.81 UGT2B7 (0.63) UGT2B7SLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL307143 0.81 UGT2B7 (0.63) UGT2B7SLC6A2SLC6A4SLC6A3CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021223156-A1 DIBORON GLYCOL ESTER, PREPARATION METHOD THEREFOR, INTERMEDIATE THEREOF, AND APPLICATION THEREOF 中国科学院上海有机化学研究所 2021-11-11 WO disclosed
US-10189871-B2 Transition metal complexes for enantioselective catalysis of carbon-carbon, carbon-heteroatom, and carbon-hydrogen bond forming reactions THE TEXAS A&M UNIVERSITY SYSTEM (US) 2019-01-29 US disclosed
US-20170044198-A1 TRANSITION METAL COMPLEXES FOR ENANTIOSELECTIVE CATALYSIS OF CARBON-CARBON, CARBON-HETEROATOM, AND CARBON-HYDROGEN BOND FORMING REACTIONS THE TEXAS A&M UNIVERSITY SYSTEM (US) 2017-02-16 US disclosed
US-9446393-B2 Transition metal complexes for enantioselective catalysis of carbon-carbon, carbon-heteroatom, and carbon-hydrogen bond forming reactions THE TEXAS A&M UNIVERSITY SYSTEM (US) 2016-09-20 US disclosed
US-20150165429-A1 TRANSITION METAL COMPLEXES FOR ENANTIOSELECTIVE CATALYSIS OF CARBON-CARBON, CARBON-HETEROATOM, AND CARBON-HYDROGEN BOND FORMING REACTIONS THE TEXAS A&M UNIVERSITY SYSTEM (US) 2015-06-18 US disclosed
EP-2241545-B1 OPTICALLY ACTIVE 2,2'-BIPHENOL DERIVATIVE AND METHOD FOR PRODUCING THE SAME NIPPON SODA CO (JP) 2014-05-14 EP disclosed
WO-2014018978-A2 TRANSITION METAL COMPLEXES FOR ENANTIOSELECTIVE CATALYSIS OF CARBON-CARBON, CARBON-HETEROATOM, AND CARBON-HYDROGEN BOND FORMING REACTIONS THE TEXAS A&M UNIVERSITY SYSTEM (US) 2014-01-30 WO disclosed
US-8283501-B2 Optically active 2,2′-biphenol derivative and production method of same NIPPON SODA CO., LTD. (JP) 2012-10-09 US disclosed
US-20100280284-A1 OPTICALLY ACTIVE 2,2'-BIPHENOL DERIVATIVE AND PRODUCTION METHOD OF SAME NIPPON SODA CO., LTD. (JP) 2010-11-04 US disclosed
EP-2241545-A1 OPTICALLY ACTIVE 2,2'-BIPHENOL DERIVATIVE AND METHOD FOR PRODUCING THE SAME Nippon Soda Co., Ltd. (JP) 2010-10-20 EP 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 (4 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-10189871-B2 Transition metal complexes for enantioselective catalysis of carbon-carbon, carbon-heteroatom, and carbon-hydrogen bond forming reactions SOD1, YWHAZ, L1CAM UGT2B7 3975/4885SLC6A2 3345/4885SLC6A4 3630/4885
US-20170044198-A1 TRANSITION METAL COMPLEXES FOR ENANTIOSELECTIVE CATALYSIS OF CARBON-CARBON, CARBON-HETEROATOM, AND CARBON-HYDROGEN BOND FORMING REACTIONS SOD1, C9, PYM1 UGT2B7 3939/4885SLC6A2 3178/4885SLC6A4 3400/4885
US-20100280284-A1 OPTICALLY ACTIVE 2,2'-BIPHENOL DERIVATIVE AND PRODUCTION METHOD OF SAME SQLE, CYP2J2, CYP24A1 UGT2B7 40/4885SLC6A2 4263/4885SLC6A4 4592/4885
US-20150165429-A1 TRANSITION METAL COMPLEXES FOR ENANTIOSELECTIVE CATALYSIS OF CARBON-CARBON, CARBON-HETEROATOM, AND CARBON-HYDROGEN BOND FORMING REACTIONS SOD1, YWHAZ, L1CAM UGT2B7 3989/4885SLC6A2 3309/4885SLC6A4 3592/4885

“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.