SCHEMBL444874

SCHEMBL444874

c1ccc2cc3c(cc2c1)C[N]C3

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NQO2 P16083 1/20 0.42
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
ACHE P22303 1/20 0.38
CYP2A6 P11509 6/20 0.37
ALOX12 P18054 1/20 0.37
CYP3A4 P08684 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL442920 0.84 MEN1 (0.39) MEN1KMT2ANQO2MAPTALDH1A1
SCHEMBL2764305 0.76
SCHEMBL23593 0.76
SCHEMBL618654 0.75 ALDH1A1 (0.48) MEN1KMT2ANQO2MAPTALDH1A1
SCHEMBL31274423 0.73 MEN1 (0.52) MEN1KMT2ANQO2MAPTALDH1A1
SCHEMBL29604701 0.73 MEN1 (0.52) MEN1KMT2ANQO2MAPTALDH1A1
SCHEMBL29230355 0.73 MEN1 (0.52) MEN1KMT2ANQO2ALDH1A1HPGD
SCHEMBL7914941 0.73 MEN1 (0.52) MEN1KMT2ANQO2MAPTALDH1A1
SCHEMBL14482014 0.73 MEN1 (0.52) MEN1KMT2ANQO2ALDH1A1HPGD
SCHEMBL1808685 0.73 MEN1 (0.52) MEN1KMT2ANQO2MAPTALDH1A1

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
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
US-8569535-B2 Substituted benzoylamino-indan-2-carboxylic acids and related compounds SANOFI (FR) 2013-10-29 US 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-1999048870-A1 PIPERIDIDINYL AND N-AMIDINOPIPERIDINYL DERIVATIVES AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-09-30 WO 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
US-4353826-A ANTITUBERCULAR ANTIBIOTICS CIBA-GEIGY CORPORATION (US) 1982-10-12 US disclosed
US-4261891-A BACTERICIDES, ANTITUBERCULAR AGENTS CIBA-GEIGY CORPORATION (US) 1981-04-14 US disclosed
US-4005077-A DERIVATIVES OF RIFAMYCIN S OR SV CIBA-GEIGY CORPORATION (US) 1977-01-25 US 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.