SCHEMBL1465792

SCHEMBL1465792

NC(Cc1ccccc1)C(N)(c1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.61
LMNA P02545 1/20 0.61
MAPK1 P28482 1/20 0.61
EPHX1 P07099 1/20 0.52
SLC6A2 P23975 2/20 0.48
TAAR1 Q96RJ0 2/20 0.48
MAOA P21397 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
CYP2A6 P11509 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
ANPEP P15144 2/20 0.45
CYP2D6 P10635 1/20 0.45
ALPI P09923 1/20 0.44
PKM P14618 1/20 0.44
PTGS1 P23219 1/20 0.44
XIAP P98170 1/20 0.44
SLC7A5 Q01650 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
SCHEMBL9583650 0.93 KDM4E (0.54) KDM4ELMNAMAPK1EPHX1SLC6A2
SCHEMBL636097 0.83 ALDH1A1 (0.49) KDM4ELMNAMAPK1SLC6A4SIGMAR1
SCHEMBL9585006 0.78 ALDH1A1 (0.45) KDM4ELMNAMAPK1SLC6A4SIGMAR1
SCHEMBL1465631 0.78 TAAR1 (0.44) KDM4ELMNAMAPK1EPHX1SLC6A2
SCHEMBL1131200 0.78 KDM4E (0.96) KDM4ELMNAMAPK1EPHX1SLC6A2
SCHEMBL294458 0.78 KDM4E (0.96) KDM4ELMNAMAPK1EPHX1SLC6A2
SCHEMBL1262139 0.78 KDM4E (0.96) KDM4ELMNAMAPK1EPHX1SLC6A2
SCHEMBL1619118 0.77 SLC6A2 (0.56) KDM4ELMNAMAPK1EPHX1SLC6A2
SCHEMBL4592903 0.77 KIF11 (0.42) KDM4ELMNAMAPK1TAAR1MAOA
Hydrochloric Acid SCHEMBL7066881 0.75 SLC6A2 (0.54) KDM4ELMNAMAPK1EPHX1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100311975-A1 CATIONIC TRANSITION METAL CATALYSTS KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2010-12-09 US claimed
EP-2215101-A1 CATIONIC TRANSITION METAL CATALYSTS Kanata Chemical Technologies Inc. (CA) 2010-08-11 EP claimed
WO-2009055912-A1 CATIONIC TRANSITION METAL CATALYSTS KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2009-05-07 WO claimed
US-8518368-B2 Method for the production of hydrogen from ammonia borane KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2013-08-27 US disclosed
US-20110070152-A1 METHOD FOR THE PRODUCTION OF HYDROGEN FROM AMMONIA BORANE KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2011-03-24 US disclosed
US-20100311975-A1 CATIONIC TRANSITION METAL CATALYSTS KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2010-12-09 US disclosed
EP-2215101-A1 CATIONIC TRANSITION METAL CATALYSTS Kanata Chemical Technologies Inc. (CA) 2010-08-11 EP disclosed
CN-101730656-A Method for the production of hydrogen from ammonia borane KANATA CHEMICAL TECHNOLOGIES I 2010-06-09 CN disclosed
EP-2158154-A1 METHOD FOR THE PRODUCTION OF HYDROGEN FROM AMMONIA BORANE Kanata Chemical Technologies Inc. (CA) 2010-03-03 EP disclosed
WO-2009055912-A1 CATIONIC TRANSITION METAL CATALYSTS KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2009-05-07 WO disclosed
WO-2008141439-A1 METHOD FOR THE PRODUCTION OF HYDROGEN FROM AMMONIA BORANE KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2008-11-27 WO disclosed
US-6878838-B2 Chiral porous metal phosphonates for heterogeneous asymmetric catalysis THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2005-04-12 US disclosed
WO-2004084834-A2 CHIRAL POROUS METAL PHOSPHONATES FOR HETEROGENEOUS ASYMMETRIC CATALYSIS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2004-10-07 WO disclosed
US-20040192543-A1 Chiral porous metal phosphonates for heterogeneous asymmetric catalysis NORTH CAROLINA AT CHAPEL HILL, UNIVERSITY OF, THE 2004-09-30 US disclosed
US-20030045727-A1 Process for preparing optically active secondary alcohols having nitrogenous or oxygenic functional groups ASAHI KASEI KABUSHIKI KAISHA (JP) 2003-03-06 US disclosed
EP-1254885-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE SECONDARY ALCOHOLS HAVING NITROGENOUS OR OXYGENIC FUNCTIONAL GROUPS Asahi Kasei Kabushiki Kaisha (JP) 2002-11-06 EP disclosed
US-5238955-A Anticarcinogenic agents ASTA PHARMA AG (DE) 1993-08-24 US disclosed
US-5194644-A Antitumor agents; treatment of leukemia ASTA PHARMA AG (DE) 1993-03-16 US disclosed
EP-0451753-A1 In the ethylenic moiety substituted phenylalkylethylenediamine-platinum (II or IV) derivatives and phenylalkyl-ethylenediamines ASTA Medica Aktiengesellschaft (DE) 1991-10-16 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-20030045727-A1 Process for preparing optically active secondary alcohols having nitrogenous or oxygenic functional groups ADH1A, ADH5, ADH1C KDM4E 3774/4885LMNA 3712/4885MAPK1 493/4885
US-20100311975-A1 CATIONIC TRANSITION METAL CATALYSTS AP2M1, OPRM1, CD81 KDM4E 3959/4885LMNA 3132/4885MAPK1 1794/4885
US-20040192543-A1 Chiral porous metal phosphonates for heterogeneous asymmetric catalysis ZKSCAN2, TPRKB, KHK KDM4E 75/4885LMNA 4351/4885MAPK1 4261/4885

“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.