SCHEMBL12416620

SCHEMBL12416620

Cc1cc2c(Br)cccc2c(C)n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
GPR3 P46089 1/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.40
NR4A2 P43354 2/20 0.40
KDM4E B2RXH2 4/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
CYP1A2 P05177 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BACE1 P56817 1/20 0.36
NCF1 P14598 1/20 0.36
CD38 P28907 1/20 0.35
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL31399682 0.81 NR4A2 (0.41) MAPTALDH1A1GAANR4A2KDM4E
SCHEMBL15366499 0.81 NR4A2 (0.41) MAPTALDH1A1GAANR4A2KDM4E
SCHEMBL31729412 0.81 ALDH1A1 (0.42) MAPTGPR3ALDH1A1GAANR4A2
SCHEMBL2172222 0.81 ALDH1A1 (0.42) MAPTGPR3ALDH1A1GAANR4A2
SCHEMBL12136220 0.79 CYP1A2 (0.50) MAPTGPR3ALDH1A1NR4A2KDM4E
SCHEMBL2192108 0.78 ALDH1A1 (0.42) MAPTALDH1A1GAAKDM4ELMNA
SCHEMBL2170488 0.78 ALDH1A1 (0.37) MAPTGPR3ALDH1A1KDM4EHTT
SCHEMBL1349603 0.76 KDM4E (0.55) MAPTGPR3ALDH1A1GAANR4A2
SCHEMBL1872722 0.75 ALOX15 (0.45) GPR3ALDH1A1KDM4EHTTTDP1
SCHEMBL18854448 0.74 PKM (0.42) MAPTALDH1A1GAAKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436015-B2 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2013-05-07 US disclosed
EP-2427436-B1 SUBSTITUTED AROMATIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS GRUENENTHAL GMBH (DE) 2013-01-09 EP disclosed
US-8334315-B2 Substituted aromatic carboxamide and urea derivatives as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2012-12-18 US disclosed
US-8334315-B2 Substituted aromatic carboxamide and urea derivatives as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2012-12-18 US disclosed
US-20110172256-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME LLC 2011-07-14 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
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 (2 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 1641/4885GPR3 52/4885ALDH1A1 2165/4885
US-20110172256-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE GCGR, GLP1R, GPR119 MAPT 4554/4885GPR3 60/4885ALDH1A1 4625/4885

“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.