SCHEMBL10150650

SCHEMBL10150650

COc1ccc(Cn2nc(C)cc2C(=O)O)cc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
RAB9A P51151 2/20 0.51
GAA P10253 1/20 0.51
CCR2 P41597 1/20 0.49
GRN P28799 2/20 0.49
SORT1 Q99523 2/20 0.49
NPSR1 Q6W5P4 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ALOX15 P16050 1/20 0.46
NPC1 O15118 1/20 0.46
HTT P42858 2/20 0.46

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
SCHEMBL10150645 0.89 SMN1; SMN2 (0.51) MAPTRAB9AGAANPSR1KMT2A
SCHEMBL27974299 0.88 RAB9A (0.60) MAPTRAB9AGAANPSR1KMT2A
SCHEMBL14119926 0.86 MAPT (0.50) MAPTRAB9AGAACCR2GRN
SCHEMBL2079137 0.85 MAPT (0.62) MAPTRAB9AGAAGRNSORT1
SCHEMBL30028627 0.85 MAPT (0.68) MAPTRAB9AGAANPSR1SMN1; SMN2
SCHEMBL6258641 0.84 MAPT (0.64) MAPTRAB9AGAACCR2GRN
SCHEMBL5178107 0.84 GRN (0.67) MAPTRAB9AGRNSORT1NPSR1
SCHEMBL22000813 0.83 HDAC3 (0.55) MAPTRAB9AGAAGRNSORT1
SCHEMBL1883988 0.83 ALDH1A1 (0.53) MAPTRAB9AGAACCR2GRN
SCHEMBL8889722 0.82 MAPT (0.70) MAPTGRNSORT1NPSR1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103880749-B A kind of chemical synthesis process of 3- methyl -5- pyrazole carboxylic acid methyl esters 南通大学 2019-01-01 CN claimed
CN-103880749-B A kind of chemical synthesis process of 3- methyl -5- pyrazole carboxylic acid methyl esters 南通大学 2019-01-01 CN 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-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
CN-103880749-A Chemical synthesis method of methyl 3-methyl-5-pyrazolylformate UNIV NANTONG 2014-06-25 CN 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-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 (7 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 MAPT 1641/4885RAB9A 3388/4885GAA 1825/4885
US-20150099728-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV6 MAPT 2818/4885RAB9A 4104/4885GAA 2263/4885
US-20120258946-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV6 MAPT 2818/4885RAB9A 4104/4885GAA 2263/4885
US-20120046301-A1 Substituted Cyclic Carboxamide and Urea Derivatives as Ligands of the Vanilloid Receptor TRPV1, CNR1, CNR2 MAPT 2720/4885RAB9A 3587/4885GAA 4048/4885
US-20150011592-A9 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV2 MAPT 3020/4885RAB9A 4225/4885GAA 1757/4885
US-20140142143-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV2 MAPT 3020/4885RAB9A 4225/4885GAA 1757/4885
US-20130029962-A1 Substituted Heteroaromatic Pyrazole-Containing Carboxamide and Urea Compounds as Vanilloid Receptor Ligands TRPV1, GPR17, TRPV3 MAPT 1363/4885RAB9A 2891/4885GAA 2687/4885

“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.