SCHEMBL3675795

SCHEMBL3675795

NC(=C=O)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.50
CES2 O00748 1/20 0.50
AKR1B1 P15121 1/20 0.50
HIF1A Q16665 1/20 0.46
PAM P19021 2/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CTBP2 P56545 1/20 0.41
EPHX2 P34913 1/20 0.41
PLA2G10 O15496 1/20 0.41
PLA2G2A P14555 1/20 0.41
LMNA P02545 2/20 0.40
GAA P10253 2/20 0.40

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
SCHEMBL11344364 0.76 CES1 (0.54) CES1CES2AKR1B1PAMKMT2A
Water SCHEMBL28149739 0.74 HDAC1 (0.55) KMT2AHDAC8HDAC6MAPK1L3MBTL1
SCHEMBL25676 0.73 CES1 (0.64) CES1CES2AKR1B1HIF1AKMT2A
SCHEMBL6802365 0.73 CES1 (0.50) CES1CES2AKR1B1KMT2AMEN1
SCHEMBL4712967 0.72 CES1 (0.45) CES1CES2AKR1B1HIF1AKMT2A
SCHEMBL8993215 0.72 CES1 (0.55) CES1CES2AKR1B1HIF1AKMT2A
SCHEMBL28085046 0.72 CES1 (0.55) CES1CES2AKR1B1HIF1AKMT2A
SCHEMBL5184996 0.72 CES1 (0.55) CES1CES2AKR1B1HIF1AKMT2A
SCHEMBL4165526 0.71 CES1 (0.61) CES1CES2AKR1B1HIF1AKMT2A
Hydrochloric Acid SCHEMBL1621316 0.71 CES1 (0.61) CES1CES2AKR1B1HIF1AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1915149-B1 NOVEL TRIAZOLE DERIVATIVES AS GHRELIN ANALOGUE LIGANDS OF GROWTH HORMONE SECRETAGOGUE RECEPTORS AETERNA ZENTARIS GMBH (DE) 2018-10-10 EP claimed
US-20100331343-A1 NOVEL TRIAZOLE DERIVATIVES AS GHRELIN ANALOGUE LIGANDS OF GROWTH HORMONE SECRETAGOGUE RECEPTORS ZENTARIS GMBH (DE) 2010-12-30 US claimed
US-20090042905-A1 TRIAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS AETERNA ZENTARIS GMBH (DE) 2009-02-12 US claimed
WO-2008098977-A1 NOVEL TRIAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS ÆTERNA ZENTARIS GMBH (DE) 2008-08-21 WO claimed
EP-1958631-A1 Novel triazole derivatives as ligands of G-protein coupled receptors AEterna Zentaris GmbH (DE) 2008-08-20 EP claimed
US-20070208061-A2 NOVEL TRIAZOLE DERIVATIVES AS GHRELIN ANALOGUE LIGANDS OF GROWTH HORMONE SECRETAGOGUE RECEPTORS ZENTARIS GMBH (DE) 2007-09-06 US claimed
US-20070037857-A1 Novel triazole derivatives as ghrelin analogue ligands of growth hormone secretagogue receptors ZENTARIS GMBH (DE) 2007-02-15 US claimed
EP-1915149-B1 NOVEL TRIAZOLE DERIVATIVES AS GHRELIN ANALOGUE LIGANDS OF GROWTH HORMONE SECRETAGOGUE RECEPTORS AETERNA ZENTARIS GMBH (DE) 2018-10-10 EP disclosed
US-8710089-B2 Triazole derivatives as ghrelin analogue ligands of growth hormone secretagogue receptors ZENTARIS GMBH (DE) 2014-04-29 US disclosed
US-20100331343-A1 NOVEL TRIAZOLE DERIVATIVES AS GHRELIN ANALOGUE LIGANDS OF GROWTH HORMONE SECRETAGOGUE RECEPTORS ZENTARIS GMBH (DE) 2010-12-30 US disclosed
US-7829724-B2 Triazole derivatives as ghrelin analogue ligands of growth hormone secretagogue receptors ZENTARIS GMBH (DE) 2010-11-09 US disclosed
US-20090042905-A1 TRIAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS AETERNA ZENTARIS GMBH (DE) 2009-02-12 US disclosed
WO-2008098977-A1 NOVEL TRIAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS ÆTERNA ZENTARIS GMBH (DE) 2008-08-21 WO disclosed
EP-1958631-A1 Novel triazole derivatives as ligands of G-protein coupled receptors AEterna Zentaris GmbH (DE) 2008-08-20 EP disclosed
EP-1915149-A2 NOVEL TRIAZOLE DERIVATIVES AS GHRELIN ANALOGUE LIGANDS OF GROWTH HORMONE SECRETAGOGUE RECEPTORS AEterna Zentaris GmbH (DE) 2008-04-30 EP disclosed
US-20070208061-A2 NOVEL TRIAZOLE DERIVATIVES AS GHRELIN ANALOGUE LIGANDS OF GROWTH HORMONE SECRETAGOGUE RECEPTORS ZENTARIS GMBH (DE) 2007-09-06 US disclosed
WO-2007020013-A2 NOVEL TRIAZOLE DERIVATIVES AS GHRELIN ANALOGUE LIGANDS OF GROWTH HORMONE SECRETAGOGUE RECEPTORS ÆTERNA ZENTARIS GMBH (DE) 2007-02-22 WO disclosed
US-20070037857-A1 Novel triazole derivatives as ghrelin analogue ligands of growth hormone secretagogue receptors ZENTARIS GMBH (DE) 2007-02-15 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 (4 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-20070208061-A2 NOVEL TRIAZOLE DERIVATIVES AS GHRELIN ANALOGUE LIGANDS OF GROWTH HORMONE SECRETAGOGUE RECEPTORS GIPR, GHSR, GPR119 CES1 498/4885CES2 3886/4885AKR1B1 1415/4885
US-20100331343-A1 NOVEL TRIAZOLE DERIVATIVES AS GHRELIN ANALOGUE LIGANDS OF GROWTH HORMONE SECRETAGOGUE RECEPTORS GIPR, GHSR, GPR119 CES1 498/4885CES2 3886/4885AKR1B1 1415/4885
US-20070037857-A1 Novel triazole derivatives as ghrelin analogue ligands of growth hormone secretagogue receptors GIPR, GHSR, GPR119 CES1 498/4885CES2 3886/4885AKR1B1 1415/4885
US-20090042905-A1 TRIAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS GPR3, GRK3, GPR88 CES1 1364/4885CES2 3648/4885AKR1B1 1290/4885

“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.