SCHEMBL4069155

SCHEMBL4069155

Cc1nn(-c2cccc(Cl)c2)c(C#N)c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
RXRG P48443 1/20 0.50
KMT2A Q03164 9/20 0.47
MAPK1 P28482 2/20 0.47
MAPT P10636 7/20 0.46
MEN1 O00255 7/20 0.46
HTT P42858 6/20 0.46
LMNA P02545 5/20 0.46
ALDH1A1 P00352 5/20 0.46
GAA P10253 4/20 0.46
NPSR1 Q6W5P4 4/20 0.46
KDM4E B2RXH2 4/20 0.46
TDP1 Q9NUW8 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HPGD P15428 2/20 0.46
ALPG P10696 1/20 0.46
HIF1A Q16665 1/20 0.46
USP2 O75604 1/20 0.43
PKM P14618 1/20 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
SCHEMBL658041 0.82 TRPV1 (0.48) RXRARXRBRXRGKMT2AMAPK1
SCHEMBL10049726 0.77 KMT2A (0.50) KMT2AMAPK1MAPTMEN1HTT
SCHEMBL4077407 0.77 KMT2A (0.50) RXRARXRBRXRGKMT2AMAPK1
SCHEMBL4070024 0.77 KMT2A (0.50) KMT2AMAPK1MAPTMEN1HTT
SCHEMBL23116825 0.75 RXRA (0.46) RXRARXRBRXRGKMT2AMAPK1
SCHEMBL14665795 0.75 MAPT (0.53) RXRARXRBRXRGKMT2AMAPK1
SCHEMBL4077444 0.73 KMT2A (0.47) KMT2AMAPK1MAPTMEN1HTT
SCHEMBL31522201 0.70 ALDH1A1 (0.58) RXRARXRBRXRGKMT2AMAPK1
SCHEMBL31522200 0.70 ALDH1A1 (0.58) RXRARXRBRXRGKMT2AMAPK1
SCHEMBL405007 0.69 ALDH1A1 (0.71) KMT2AMAPK1MAPTMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20150011592-A9 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2015-01-08 US disclosed
US-20140142143-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2014-05-22 US disclosed
US-20130029962-A1 Substituted Heteroaromatic Pyrazole-Containing Carboxamide and Urea Compounds as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2013-01-31 US disclosed
US-8334315-B2 Substituted aromatic carboxamide and urea derivatives as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2012-12-18 US disclosed
US-20120258946-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2012-10-11 US disclosed
US-20120115903-A1 Substituted Heteroaromatic Carboxamide and Urea Compounds as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2012-05-10 US disclosed
US-20120115893-A1 Substituted Bicyclic Carboxamide and Urea Compounds as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2012-05-10 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 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 RXRA 527/4885RXRB 690/4885RXRG 585/4885
US-20150099728-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV6 RXRA 722/4885RXRB 942/4885RXRG 723/4885
US-20120115903-A1 Substituted Heteroaromatic Carboxamide and Urea Compounds as Vanilloid Receptor Ligands TRPV1, OPRM1, OPRK1 RXRA 1018/4885RXRB 1193/4885RXRG 972/4885
US-20120258946-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV6 RXRA 722/4885RXRB 942/4885RXRG 723/4885
US-20120046301-A1 Substituted Cyclic Carboxamide and Urea Derivatives as Ligands of the Vanilloid Receptor TRPV1, CNR1, CNR2 RXRA 643/4885RXRB 852/4885RXRG 743/4885
US-20150011592-A9 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV2 RXRA 852/4885RXRB 1062/4885RXRG 922/4885
US-20140142143-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV2 RXRA 852/4885RXRB 1062/4885RXRG 922/4885
US-20130029962-A1 Substituted Heteroaromatic Pyrazole-Containing Carboxamide and Urea Compounds as Vanilloid Receptor Ligands TRPV1, GPR17, TRPV3 RXRA 545/4885RXRB 579/4885RXRG 456/4885
US-20120115893-A1 Substituted Bicyclic Carboxamide and Urea Compounds as Vanilloid Receptor Ligands TRPV1, CNR1, CNR2 RXRA 1046/4885RXRB 1136/4885RXRG 1045/4885

“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.