SCHEMBL10150645

SCHEMBL10150645

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

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
RAB9A P51151 2/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 3/20 0.50
PDE8B O95263 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALOX15 P16050 1/20 0.46
NPC1 O15118 1/20 0.46
HTT P42858 1/20 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
SCHEMBL10150650 0.89 MAPT (0.53) SMN1; SMN2RAB9AGAAMAPTNPSR1
SCHEMBL27974299 0.88 RAB9A (0.60) SMN1; SMN2RAB9AGAAMAPTNPSR1
SCHEMBL30028627 0.85 MAPT (0.68) SMN1; SMN2RAB9AGAAMAPTNPSR1
SCHEMBL4070158 0.83 ALDH1A1 (0.47) GAAMAPTPDE8BNPSR1ALDH1A1
SCHEMBL5643904 0.80 GAA (0.49) SMN1; SMN2RAB9ALMNAGAAMAPT
SCHEMBL173737 0.80 POLB (0.69) SMN1; SMN2RAB9ALMNAGAAMAPT
SCHEMBL25208410 0.80 MAPT (0.53) SMN1; SMN2LMNAMAPTKMT2AMEN1
SCHEMBL8369096 0.79 MAPT (0.58) SMN1; SMN2RAB9ALMNAMAPTKMT2A
SCHEMBL1197498 0.79 LMNA (0.68) SMN1; SMN2RAB9ALMNAGAAMAPT
SCHEMBL12675281 0.79 MAPT (0.49) SMN1; SMN2RAB9ALMNAGAAMAPT

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 7 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-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-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 (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-20110003795-A1 Substituted Aromatic Carboxamide and Urea Derivatives as Vanilloid Receptor Ligands TRPV1, UTS2R, CNR2 SMN1; SMN2 4593/4885RAB9A 3388/4885LMNA 3573/4885
US-20150099728-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV6 SMN1; SMN2 3176/4885RAB9A 4104/4885LMNA 3395/4885
US-20120258946-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV6 SMN1; SMN2 3176/4885RAB9A 4104/4885LMNA 3395/4885
US-20120046301-A1 Substituted Cyclic Carboxamide and Urea Derivatives as Ligands of the Vanilloid Receptor TRPV1, CNR1, CNR2 SMN1; SMN2 3688/4885RAB9A 3587/4885LMNA 3934/4885

“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.