SCHEMBL442920

SCHEMBL442920

c1ccc2cc3c(cc2c1)CC[N]C3

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NQO2 P16083 1/20 0.34
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
PKM P14618 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL444874 0.84 MEN1 (0.46) MEN1KMT2ANQO2NPC1RAB9A
SCHEMBL2359585 0.79 CLK1 (0.37)
SCHEMBL23867 0.77 TSHR (0.46) TSHRNOS3NOS2CYP2A6
SCHEMBL29230355 0.75 MEN1 (0.52) MEN1KMT2ANQO2TP53CYP3A4
SCHEMBL14482014 0.75 MEN1 (0.52) MEN1KMT2ANQO2TP53CYP3A4
SCHEMBL444814 0.75 KMT2A (0.46) MEN1KMT2ANQO2NPC1RAB9A
SCHEMBL444569 0.75 KMT2A (0.46) MEN1KMT2ANQO2NPC1RAB9A
Ammonia Solution, Strong SCHEMBL793717 0.73 MEN1 (0.50) MEN1KMT2ANQO2TP53CYP3A4
SCHEMBL8328664 0.73 ADCY6 (0.44) MEN1KMT2AMAPTKDM4ECYP2C9
SCHEMBL11223077 0.71 NOS3 (0.50) KDM4ETSHRNOS3NOS2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242471-B1 SUBSTITUTED GROUP 4 METAL COMPLEXES, CATALYSTS AND OLEFIN POLYMERIZATION PROCESS DOW GLOBAL TECHNOLOGIES LLC (US) 2012-02-29 EP claimed
EP-1501843-A1 ALKARYL-SUBSTITUTED GROUP 4 METAL COMPLEXES, CATALYSTS AND OLEFIN POLYMERIZATION PROCESS DOW GLOBAL TECHNOLOGIES INC. (US) 2005-02-02 EP claimed
WO-2003091265-A1 ALKARYL-SUBSTITUTED GROUP 4 METAL COMPLEXES, CATALYSTS AND OLEFIN POLYMERIZATION PROCESS DOW GLOBAL TECHNOLOGIES INC. (US) 2003-11-06 WO claimed
US-6515155-B1 Group 4 metal complexes of the constrained geometry type, catalysts derived therefrom and polymerization processes using the same, characterized by a nitrogen containing aliphatic or cycloaliphatic moiety that is substituted with one or more DOW GLOBAL TECHNOLOGIES INC. 2003-02-04 US claimed
US-20030004286-A1 Alkaryl-substituted Group 4 metal complexes, catalysts and olefin polymerization process DOW GLOBAL TECHNOLOGIES LLC 2003-01-02 US claimed
US-20020165329-A1 Heat-resistant group 4 metal metallecenes having a nitrogen with aliphatic or cycloaliphatic moiety substituted with aryl group(s)and a silane bridge; high-molecular weight ethylene-alpha olefin copolymers; high concentration of comonomer KLOSIN JERZY (US) 2002-11-07 US claimed
EP-1253158-A1 Substituted group 4 metal complexes, catalysts and olefin polymerization process DOW GLOBAL TECHNOLOGIES INC. (US) 2002-10-30 EP claimed
EP-2038268-B1 CARBONYLATED (AZA)CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET SOC CIV (FR) 2015-11-04 EP disclosed
US-20140294763-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-02 US disclosed
US-8802678-B2 Carbonylated (aza) cyclohexanes as dopamine D3 receptor ligands BIOPROJET (FR) 2014-08-12 US disclosed
EP-1937652-B1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMA INC (US) 2014-07-30 EP disclosed
EP-2368877-B1 Peptidomimetic protease inhibitors and intermediates for their preparation As treatment for HCV infection VERTEX PHARMA (US) 2014-05-07 EP disclosed
EP-1958956-B1 Peptidomimetic protease inhibitors VERTEX PHARMA (US) 2013-12-11 EP disclosed
WO-2001058933-A2 SELECTIVE N-ACYLATION OF A82846 GLYCOPEPTIDE ANALOGS ELI LILLY AND COMPANY (US) 2001-08-16 WO disclosed
WO-2001010799-A1 METHODS FOR PREPARING N-[(ALIPHATIC OR AROMATIC)CARBONYL)]-2-AMINOACETAMIDE COMPOUNDS AND FOR CYCLIZING SUCH COMPOUNDS AVENTIS PHARMACEUTICAL PRODUCTS INC. (US) 2001-02-15 WO disclosed
EP-1051397-A1 METHOD FOR PREPARING AN N- (ALIPHATIC OR AROMATIC)CARBONYL]-2-AMINOACETAMIDE COMPOUND AND A CYCLYZED COMPOUND Aventis Pharmaceuticals Products Inc. (US) 2000-11-15 EP disclosed
WO-2000064876-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-02 WO disclosed
EP-1030665-A1 THERAPEUTIC USES OF QUINOLINE DERIVATIVES Aventis Pharmaceuticals Products Inc. (US) 2000-08-30 EP disclosed
WO-1999038844-A1 METHOD FOR PREPARING AN N-[(ALIPHATIC OR AROMATIC)CARBONYL]-2-AMINOACETAMIDE COMPOUND AND A CYCLYZED COMPOUND AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-08-05 WO disclosed
WO-1999020275-A1 THERAPEUTIC USES OF QUINOLINE DERIVATIVES AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-04-29 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 (2 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-20140294763-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS CTSC, PREP, PEPD MEN1 3086/4885KMT2A 3611/4885NQO2 1468/4885
US-20020165329-A1 Heat-resistant group 4 metal metallecenes having a nitrogen with aliphatic or cycloaliphatic moiety substituted with aryl group(s)and a silane bridge; high-molecular weight ethylene-alpha olefin copolymers; high concentration of comonomer B2M, WEE2, WASF2 MEN1 2455/4885KMT2A 3396/4885NQO2 4418/4885

“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.