SCHEMBL4069116

SCHEMBL4069116

O=C(O)c1cc(C2CC2)nn1-c1cccc(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
KDM4E B2RXH2 3/20 0.57
PKM P14618 3/20 0.57
POLB P06746 3/20 0.57
RECQL P46063 3/20 0.57
TDP1 Q9NUW8 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
CTDSP1 Q9GZU7 1/20 0.57
KCNJ6 P48051 6/20 0.57
KCNJ3 P48549 6/20 0.57
KCNJ5 P48544 4/20 0.57
ALDH1A1 P00352 3/20 0.47
PPP1CA P62136 1/20 0.46
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
MCL1 Q07820 1/20 0.43
NOTUM Q6P988 1/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL4069114 0.88 KCNJ6 (0.53) MEN1KMT2AKDM4EPKMPOLB
SCHEMBL22896928 0.87 ALDH1A1 (0.55) KDM4EPKMKCNJ6KCNJ3KCNJ5
SCHEMBL14669571 0.86 KCNJ6 (0.54) MEN1KMT2AKDM4EPKMPOLB
SCHEMBL13194420 0.85 KCNJ6 (0.53) MEN1KMT2AKDM4EPKMPOLB
SCHEMBL4077860 0.82 ALDH1A1 (0.54) MEN1KMT2AKDM4EPOLBKCNJ6
SCHEMBL12506455 0.80 KCNJ6 (0.53) MEN1KMT2AKDM4EPKMPOLB
SCHEMBL25510548 0.78 KCNJ6 (0.51) KDM4EPKMKCNJ6KCNJ3KCNJ5
SCHEMBL12506454 0.78 TRPV1 (0.57) KCNJ6KCNJ3KCNJ5
SCHEMBL28961018 0.77 KMT2A (0.59) MEN1KMT2AKDM4EPKMPOLB
SCHEMBL28811223 0.76 KCNJ6 (0.60) MEN1KMT2AKCNJ6KCNJ3KCNJ5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2776398-B1 SUBSTITUTED PYRAZOLYL-BASED UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS MEDIFRON DBT INC (KR) 2020-09-02 EP disclosed
EP-2427435-B1 SUBSTITUTED PHENYLUREAS AND PHENYLAMIDES AS VANILLOID RECEPTOR LIGANDS MEDIFRON DBT INC (KR) 2017-06-14 EP disclosed
US-9624209-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2017-04-18 US disclosed
US-9624209-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2017-04-18 US disclosed
US-9120756-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2015-09-01 US disclosed
US-9120756-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2015-09-01 US disclosed
US-20150099728-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands MEDIFRON DBT INC. (KR) 2015-04-09 US disclosed
US-20150099728-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands MEDIFRON DBT INC. (KR) 2015-04-09 US disclosed
US-8946204-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2015-02-03 US disclosed
US-8946204-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2015-02-03 US disclosed
US-20120115893-A1 Substituted Bicyclic Carboxamide and Urea Compounds as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2012-05-10 US disclosed
WO-2012022487-A1 SUBSTITUTED CYCLIC CARBOXAMIDE AND UREA DERIVATIVES AS LIGANDS OF THE VANILLOID RECEPTOR Grünenthal GmbH (DE) 2012-02-23 WO disclosed
US-20120046301-A1 Substituted Cyclic Carboxamide and Urea Derivatives as Ligands of the Vanilloid Receptor GRUENENTHAL GMBH (DE) 2012-02-23 US disclosed
US-20120046301-A1 Substituted Cyclic Carboxamide and Urea Derivatives as Ligands of the Vanilloid Receptor GRUENENTHAL GMBH (DE) 2012-02-23 US disclosed
US-20110003795-A1 Substituted Aromatic Carboxamide and Urea Derivatives as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2011-01-06 US disclosed
US-20110003795-A1 Substituted Aromatic Carboxamide and Urea Derivatives as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2011-01-06 US disclosed
US-20100331381-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2010-12-30 US disclosed
US-20100331381-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2010-12-30 US disclosed
WO-2010127856-A1 SUBSTITUTED PHENYLLUREAS AND PHENYLAMIDES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2010-11-11 WO disclosed
WO-2010127855-A1 SUBSTITUTED AROMATIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2010-11-11 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 (5 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-20110003795-A1 Substituted Aromatic Carboxamide and Urea Derivatives as Vanilloid Receptor Ligands TRPV1, UTS2R, CNR2 MEN1 4682/4885KMT2A 3101/4885KDM4E 1680/4885
US-20100331381-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV2 MEN1 4575/4885KMT2A 2350/4885KDM4E 2616/4885
US-20150099728-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV6 MEN1 4643/4885KMT2A 2137/4885KDM4E 2471/4885
US-20120046301-A1 Substituted Cyclic Carboxamide and Urea Derivatives as Ligands of the Vanilloid Receptor TRPV1, CNR1, CNR2 MEN1 4768/4885KMT2A 3713/4885KDM4E 2830/4885
US-20120115893-A1 Substituted Bicyclic Carboxamide and Urea Compounds as Vanilloid Receptor Ligands TRPV1, CNR1, CNR2 MEN1 4603/4885KMT2A 3781/4885KDM4E 3018/4885

“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.