SCHEMBL2038692

SCHEMBL2038692

[c]1nnoc1-c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.50
LMNA P02545 4/20 0.50
CCR1 P32246 2/20 0.50
CCR5 P51681 2/20 0.50
CCR8 P51685 2/20 0.50
CYP1A2 P05177 1/20 0.50
POLB P06746 1/20 0.50
METAP1 P53582 1/20 0.50
BLM P54132 1/20 0.50
HIF1A Q16665 1/20 0.50
DOHH Q9BU89 1/20 0.50
P4HTM Q9NXG6 1/20 0.50
TP53 P04637 8/20 0.48
TDP1 Q9NUW8 2/20 0.48
NPC1 O15118 8/20 0.43
RAB9A P51151 8/20 0.43
SMN1; SMN2 Q16637 7/20 0.43
PKM P14618 6/20 0.43
L3MBTL1 Q9Y468 4/20 0.43
ALDH1A1 P00352 4/20 0.43

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
SCHEMBL8992127 0.74 GOT1 (0.31)
SCHEMBL6218508 0.74 KDM4E (0.30) KDM4ETP53TDP1
Dipyridyl SCHEMBL29907716 0.69 KDM4E (1.00) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL29351528 0.69 KDM4E (1.00) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL3711450 0.69 KDM4E (1.00) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL5922 0.69 KDM4E (1.00) KDM4ELMNACCR1CCR5CCR8
SCHEMBL21295946 0.68 KDM4E (0.50) KDM4ELMNACCR1CCR5CCR8
Triphenylene SCHEMBL29177844 0.68 KDM4E (0.82) KDM4ELMNACCR1CCR5CCR8
SCHEMBL31268013 0.68 KDM4E (0.75) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL1535115 0.67 KDM4E (0.93) KDM4ELMNACCR1CCR5CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2638022-B1 OXAZOLIDINONES AS MODULATORS OF MGLUR5 BRISTOL MYERS SQUIBB CO (US) 2014-12-24 EP claimed
EP-2638022-A1 OXAZOLIDINONES AS MODULATORS OF MGLUR5 Bristol-Myers Squibb Company (US) 2013-09-18 EP claimed
US-20120283264-A1 Oxazolidinones as Modulators of MGLUR5 BRISTOL-MYERS SQUIBB COMPANY 2012-11-08 US claimed
WO-2012064603-A1 OXAZOLIDINONES AS MODULATORS OF MGLUR5 BRISTOL-MYERS SQUIBB COMPANY (US) 2012-05-18 WO claimed
US-RE49735-E1 Oxazolidinones as modulators of MGLUR5 BRISTOL-MYERS SQUIBB COMPANY (US) 2023-11-28 US disclosed
EP-1926721-B1 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS MSD ITALIA SRL (IT) 2016-05-04 EP disclosed
EP-2638022-B1 OXAZOLIDINONES AS MODULATORS OF MGLUR5 BRISTOL MYERS SQUIBB CO (US) 2014-12-24 EP disclosed
EP-2638022-A1 OXAZOLIDINONES AS MODULATORS OF MGLUR5 Bristol-Myers Squibb Company (US) 2013-09-18 EP disclosed
US-20120283264-A1 Oxazolidinones as Modulators of MGLUR5 BRISTOL-MYERS SQUIBB COMPANY 2012-11-08 US disclosed
WO-2012064603-A1 OXAZOLIDINONES AS MODULATORS OF MGLUR5 BRISTOL-MYERS SQUIBB COMPANY (US) 2012-05-18 WO disclosed
US-7977374-B2 Thiophene and thiazole substituted trifluoroethanone derivatives as histone deacetylase (HDAC) inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-07-12 US disclosed
WO-2011073299-A1 PYRIDINYL OXADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2011-06-23 WO disclosed
US-20090156591-A1 Thiophene and Thiazole Substituted trifluoroethanone Derivatives as Histone Deacetylase (Hdac) Inhibitors MSD ITALIA S.R.L. (IT) 2009-06-18 US disclosed
EP-2032140-A1 PYRROLO[1,2-A]PYRAZIN-1(2H)-ONE AND PYRROLO[1,2-D][1,2,4]TRIAZIN-1(2H)-ONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE(PARP) Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2009-03-11 EP disclosed
EP-1926721-A2 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2008-06-04 EP disclosed
US-20080009479-A1 Tetrahydrobenzazepines as Histamine H3 Receptor Ligands GLAXO GROUP LIMITED (GB) 2008-01-10 US disclosed
WO-2007138355-A1 PYRROLO[1,2-A]PYRAZIN-1(2H)-ONE AND PYRROLO[1,2-D][1,2,4]TRIAZIN-1(2H)-ONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE(PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-12-06 WO disclosed
WO-2007029035-A2 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-03-15 WO disclosed
EP-1735299-A1 TERTRAHYDROBENZAZEPINES AS HISTAMINE H3 RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2006-12-27 EP disclosed
WO-2005097778-A1 TETRAHYDROBENZAZEPINES AS HISTAMINE H3 RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2005-10-20 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 (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-20090156591-A1 Thiophene and Thiazole Substituted trifluoroethanone Derivatives as Histone Deacetylase (Hdac) Inhibitors HDAC1, HDAC2, HDAC11 KDM4E 217/4885LMNA 4704/4885CCR1 3995/4885
US-20120283264-A1 Oxazolidinones as Modulators of MGLUR5 GRM5, GRIK5, GRM1 KDM4E 2088/4885LMNA 4607/4885CCR1 2938/4885
US-20080009479-A1 Tetrahydrobenzazepines as Histamine H3 Receptor Ligands HRH3, HRH4, HRH1 KDM4E 633/4885LMNA 4074/4885CCR1 2733/4885

“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.