SCHEMBL9003264

SCHEMBL9003264

NCC(N)(c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.55
ALDH1A1 P00352 4/20 0.50
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA9 Q16790 3/20 0.50
CA5A P35218 2/20 0.50
IDO1 P14902 2/20 0.46
CA12 O43570 2/20 0.45
CA14 Q9ULX7 2/20 0.45
CA3 P07451 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA7 P43166 1/20 0.45
CA13 Q8N1Q1 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
ACHE P22303 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TSHR P16473 2/20 0.44
APP P05067 1/20 0.44
POLB P06746 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
SCHEMBL20789003 0.81 MAPT (0.51) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL6574930 0.80 ALDH1A1 (0.56) LOXL2ALDH1A1CA1CA2CA9
SCHEMBL9211381 0.80 LOXL2 (0.52) LOXL2ALDH1A1CA1CA2CA9
SCHEMBL394201 0.80 LOXL2 (0.52) LOXL2ALDH1A1CA1CA2CA9
SCHEMBL23202850 0.80 CA1 (0.56) LOXL2ALDH1A1CA1CA2CA9
Hydrochloric Acid SCHEMBL10563561 0.79 LOXL2 (0.50) LOXL2ALDH1A1CA1CA2CA9
SCHEMBL5186052 0.77 HSD11B1 (0.49) LOXL2ALDH1A1CA1CA2CA9
SCHEMBL3154297 0.77 ALDH1A1 (0.52) LOXL2ALDH1A1CA1CA2CA9
Hydrochloric Acid SCHEMBL6572148 0.76 HSD11B1 (0.48) LOXL2ALDH1A1CA1CA2CA9
Hydrochloric Acid SCHEMBL3928206 0.75 ALDH1A1 (0.50) LOXL2ALDH1A1CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-3319941-A1 A TWO-STEP PROCESS FOR PREPARING 3-SUBSTITUTED PHENYLALKYLAMINES SpecGx, LLC (US) 2018-05-16 EP disclosed
EP-3166923-A1 PROCESS FOR PREPARING SUBSTITUTED PHENYLALKANES Mallinckrodt LLC (US) 2017-05-17 EP 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
WO-2017011231-A1 A TWO-STEP PROCESS FOR PREPARING 3-SUBSTITUTED PHENYLALKYLAMINES MALLINCKRODT LLC (US) 2017-01-19 WO 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
WO-2016007823-A1 PROCESS FOR PREPARING SUBSTITUTED PHENYLALKANES MALLINCKRODT LLC (US) 2016-01-14 WO 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
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
EP-0487019-B1 Use of a nonlinear optical compound MATSUSHITA ELECTRIC INDUSTRIAL CO LTD (JP) 1996-09-25 EP disclosed
EP-0384364-B1 A composition of nonlinear optical materials and a method for preparing the same MATSUSHITA ELECTRIC INDUSTRIAL CO LTD (JP) 1994-01-19 EP disclosed
US-5154858-A Mixture of 2-(p-chlorophenyl)imidazoline and a compound having an electron donative and an electron attractive group MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1992-10-13 US disclosed
EP-0487019-A2 Use of a nonlinear optical compound MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1992-05-27 EP disclosed
EP-0384364-A2 A composition of nonlinear optical materials and a method for preparing the same MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1990-08-29 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 (3 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 LOXL2 392/4885ALDH1A1 1064/4885CA1 161/4885
US-20170044198-A1 TRANSITION METAL COMPLEXES FOR ENANTIOSELECTIVE CATALYSIS OF CARBON-CARBON, CARBON-HETEROATOM, AND CARBON-HYDROGEN BOND FORMING REACTIONS SOD1, C9, PYM1 LOXL2 355/4885ALDH1A1 1211/4885CA1 150/4885
US-20150165429-A1 TRANSITION METAL COMPLEXES FOR ENANTIOSELECTIVE CATALYSIS OF CARBON-CARBON, CARBON-HETEROATOM, AND CARBON-HYDROGEN BOND FORMING REACTIONS SOD1, YWHAZ, L1CAM LOXL2 421/4885ALDH1A1 1084/4885CA1 150/4885

“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.