SCHEMBL164345

SCHEMBL164345

CC(=NCc1ccccc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 9/20 0.59
GRIN1 Q05586 5/20 0.59
NOS2 P35228 1/20 0.59
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
HSD17B10 Q99714 1/20 0.57
G6PC1 P35575 1/20 0.53
LMNA P02545 2/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 1/20 0.45
ALOX12 P18054 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
GRIN2D O15399 2/20 0.44
GRIN3B O60391 2/20 0.44
GRIN2A Q12879 2/20 0.44
GRIN2C Q14957 2/20 0.44
GRIN3A Q8TCU5 2/20 0.44
SIGMAR1 Q99720 2/20 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
SCHEMBL987917 1.00 GRIN2B (0.59) GRIN2BGRIN1NOS2CYP1A2CYP2D6
SCHEMBL2206812 1.00 GRIN2B (0.59) GRIN2BGRIN1NOS2CYP1A2CYP2D6
SCHEMBL27780170 0.87 MEN1 (0.51) GRIN2BGRIN1NOS2CYP1A2CYP2D6
SCHEMBL27780177 0.87 NOS2 (0.50) GRIN2BGRIN1NOS2CYP1A2CYP2D6
SCHEMBL27780168 0.87 GRIN2B (0.65) GRIN2BGRIN1NOS2CYP1A2CYP2D6
SCHEMBL27780339 0.85 NOS2 (0.53) GRIN2BGRIN1NOS2CYP1A2CYP2D6
SCHEMBL26231961 0.84 LMNA (0.53) GRIN2BGRIN1NOS2CYP1A2CYP2D6
SCHEMBL22328727 0.84 GRIN2B (0.46) GRIN2BGRIN1NOS2CYP1A2CYP2D6
SCHEMBL15947206 0.84 NPC1 (0.51) GRIN2BNOS2HTTL3MBTL1NPC1
SCHEMBL5799220 0.84 NPC1 (0.51) GRIN2BNOS2HTTL3MBTL1NPC1

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 178 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415488-B2 Bidentate secondary phosphine oxide chiral ligands for use in asymmetric addition reactions SOLVIAS AG (CH) 2013-04-09 US claimed
US-20110098485-A1 BIDENTATE SECONDARY PHOSPHINE OXIDE CHIRAL LIGANDS FOR USE IN ASYMMETRIC ADDITION REACTIONS SOLVIAS AG (CH) 2011-04-28 US claimed
JP-2011503220-A 2011-01-27 JP claimed
EP-2212340-A1 BIDENTATE SECONDARY PHOSPHINE OXIDE CHIRAL LIGANDS FOR USE IN ASYMMETRIC ADDITION REACTIONS Solvias AG (CH) 2010-08-04 EP claimed
WO-2009065783-A1 BIDENTATE SECONDARY PHOSPHINE OXIDE CHIRAL LIGANDS FOR USE IN ASYMMETRIC ADDITION REACTIONS SOLVIAS AG (CH) 2009-05-28 WO claimed
EP-0912467-B1 ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE RHODIA CHIMIE SA (FR) 2002-04-24 EP claimed
EP-0912467-A1 ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE RHODIA CHIMIE (FR) 1999-05-06 EP claimed
WO-1998000375-A1 ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE RHODIA CHIMIE (FR) 1998-01-08 WO claimed
JP-11335334-A None JP disclosed
EP-4747366-A1 PROCESS FOR THE REDUCTION OF AROMATIC IMINES WITH NOVEL IMINE REDUCTASES (IREDS) F. Hoffmann-La Roche AG (CH) 2026-05-27 EP disclosed
US-20250333548-A1 COMPOSITION AND PHOTOSENSITIVE COMPOSITION TOKYO OHKA KOGYO CO LTD (JP) 2025-10-30 US disclosed
US-20250282900-A1 COMPOSITION AND PHOTOSENSITIVE COMPOSITION TOKYO OHKA KOGYO CO., LTD. (JP) 2025-09-11 US disclosed
US-20250138421-A1 PHOTOSENSITIVE COMPOSITION TOKYO OHKA KOGYO CO., LTD. (JP) 2025-05-01 US disclosed
US-20250060668-A1 PHOTOSENSITIVE COMPOSITION TOKYO OHKA KOGYO CO., LTD. (JP) 2025-02-20 US disclosed
US-5324861-A Selective hydrogenation of olefins, ketones, imines TAKASAGO INTERNATIONAL CORPORATION (JP) 1994-06-28 US disclosed
US-5292893-A Catalytic asymmetric and non-asymmetric reduction of times and oximes using metal catalysts MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1994-03-08 US disclosed
US-5274146-A Water-soluble alkali metal sulfonate-substituted binaphthylphosphine transition metal complex and enantioselective hydrogenation method using it TAKASAGO INTERNATIONAL CORPORATION (JP) 1993-12-28 US disclosed
EP-0558656-A1 NEW METHODS FOR THE CATALYTIC REDUCTION OF ORGANIC SUBSTRATES. MASSACHUSETTS INST TECHNOLOGY (US) 1993-09-08 EP disclosed
EP-0544455-A1 Water-soluble alkali metal sulfonate-substituted binaphthylphosphine transition metal complex and enantioselective hydrogenation method using it TAKASAGO INTERNATIONAL CORPORATION (JP) 1993-06-02 EP disclosed
WO-1992009545-A2 NEW METHODS FOR THE CATALYTIC REDUCTION OF ORGANIC SUBSTRATES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1992-06-11 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-20110098485-A1 BIDENTATE SECONDARY PHOSPHINE OXIDE CHIRAL LIGANDS FOR USE IN ASYMMETRIC ADDITION REACTIONS H1-2, PHOSPHO1, H1-0 GRIN2B 1397/4885GRIN1 352/4885NOS2 3184/4885

“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.