SCHEMBL460418

SCHEMBL460418

CCCCCc1nn[nH]c1CCCCC

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HCAR2 Q8TDS4 5/20 0.39
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
HCAR3 P49019 2/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
KCNH2 Q12809 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
SCHEMBL11318964 0.98 MEN1 (0.40) MEN1KMT2AHCAR2GAAMAPT
SCHEMBL94372 0.98 MEN1 (0.40) MEN1KMT2AHCAR2GAAMAPT
SCHEMBL5603217 0.98 MEN1 (0.40) MEN1KMT2AHCAR2GAAMAPT
SCHEMBL5276698 0.94 HCAR2 (0.44) MEN1KMT2AHCAR2GAAMAPT
SCHEMBL17485813 0.92 MEN1 (0.39) MEN1KMT2AHCAR2ALDH1A1PKM
SCHEMBL19501783 0.90 HCAR2 (0.38) MEN1KMT2AHCAR2MAPTHCAR3
SCHEMBL4364997 0.88 MEN1 (0.39) MEN1KMT2AHCAR2GAAMAPT
SCHEMBL5274721 0.88 HCAR2 (0.39) MEN1KMT2AHCAR2GAAMAPT
SCHEMBL5279145 0.88 HCAR2 (0.42) MEN1KMT2AHCAR2GAAMAPT
SCHEMBL931958 0.85 HCAR2 (0.36) MEN1KMT2AHCAR2LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011049232-A1 DIARYLTRIAZOLE DERIVATIVE AS INSECTICIDE, MITICIDE, NEMATICIDE OR SOIL PESTICIDE ISHIHARA SANGYO KAISHA, LTD. (JP) 2011-04-28 WO claimed
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US claimed
CN-113614222-A Blood brain barrier in vitro 麻省理工学院 2021-11-05 CN disclosed
CN-108794412-B Preparation method of 4, 5-diaryl-2H-1, 2, 3-triazole compound 海南师范大学 2020-06-30 CN disclosed
CN-108794412-A A kind of preparation method of 4,5- diaryl -2H-1,2,3- triazole compounds 海南师范大学 2018-11-13 CN disclosed
US-20170349638-A1 COMPANION DIAGNOSTIC TOOL FOR PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2017-12-07 US disclosed
EP-3125886-A1 DISUBSTITUTED TRIAZOLE ANALOGS Board of Trustees of the University of Arkansas (US) 2017-02-08 EP disclosed
WO-2015153635-A1 DISUBSTITUTED TRIAZOLE ANALOGS BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 2015-10-08 WO disclosed
EP-2078009-B1 NEW FLUORENE DERIVATIVES, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF AS INHIBITORS OF THE PROTEIN CHAPERONE HSP 90 SANOFI SA (FR) 2015-03-18 EP disclosed
EP-2313412-B1 NOVEL DERIVATIVES OF PYRROLOINDOLE INHIBITORS OF HSP90, COMPOSITIONS CONTAINING SAME, AND USE THEREOF SANOFI SA (FR) 2013-01-02 EP disclosed
US-8309721-B2 HSP90 inhibitory carbazole derivatives, compositions containing same and use thereof SANOFI (FR) 2012-11-13 US disclosed
WO-2009122034-A2 NOVEL HSP90 INHIBITORY CARBAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME, AND USE THEREOF SANOFI-AVENTIS (FR) 2009-10-08 WO disclosed
CN-101528735-A Novel fluorene derivatives, compositions containing them and use as chaperone protein HSP90 inhibitors SANOFI AVENTIS (FR) 2009-09-09 CN disclosed
EP-2078009-A1 NEW FLUORENE DERIVATIVES, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF AS INHIBITORS OF THE PROTEIN CHAPERONE HSP 90 Sanofi-Aventis (FR) 2009-07-15 EP disclosed
WO-2009004146-A2 NOVEL HERBIMYCIN A ANALOGUE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF SANOFI-AVENTIS (FR) 2009-01-08 WO disclosed
US-20080255216-A1 Diaryltriazoles as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase-1 MERCK SHARP & DOHME CORP. 2008-10-16 US disclosed
WO-2008049994-A1 NEW FLUORENE DERIVATIVES, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF AS INHIBITORS OF THE PROTEIN CHAPERONE HSP 90 SANOFI-AVENTIS (FR) 2008-05-02 WO disclosed
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US disclosed
CN-1938286-A Diaryltriazoles as inhibitors of 11-beta-hydroxysteroid dehydrogenase-1 MERCK & CO INC (US) 2007-03-28 CN disclosed
US-20050261449-A1 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENT INC. 2005-11-24 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-20170349638-A1 COMPANION DIAGNOSTIC TOOL FOR PEPTIDOMIMETIC MACROCYCLES TP53, TP53BP1, VHL MEN1 585/4885KMT2A 4061/4885HCAR2 3206/4885
US-20080255216-A1 Diaryltriazoles as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase-1 HSD11B1, HSD11B2, HSD17B1 MEN1 2786/4885KMT2A 3497/4885HCAR2 347/4885

“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.