SCHEMBL12930775

SCHEMBL12930775

CC(C(=O)O)c1ccc2cn[nH]c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 2/20 0.49
KMT2A Q03164 2/20 0.49
F2 P00734 1/20 0.49
AKR1C3 P42330 11/20 0.49
AKR1C2 P52895 11/20 0.49
PTGS2 P35354 4/20 0.49
PTGS1 P23219 2/20 0.49
CDC42 P60953 1/20 0.49
RAC1 P63000 1/20 0.49
CYP1A2 P05177 1/20 0.49
TSHR P16473 1/20 0.49
SLC22A6 Q4U2R8 1/20 0.49
FGFR1 P11362 1/20 0.45
NOS1 P29475 2/20 0.45
DYRK1A Q13627 2/20 0.45
PKM P14618 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL12930777 0.91 MAPT (0.49) MAPTKDM4EMEN1ALDH1A1KMT2A
SCHEMBL287693 0.88 ROCK2 (0.50) AKR1C3AKR1C2PTGS2PTGS1CDC42
SCHEMBL12961269 0.84 MAPT (0.49) MAPTKDM4EMEN1ALDH1A1KMT2A
SCHEMBL3722916 0.80 MAPT (0.54) MAPTKDM4EMEN1ALDH1A1KMT2A
SCHEMBL84390 0.80 MAPT (0.60) MAPTKDM4EMEN1ALDH1A1KMT2A
SCHEMBL12930772 0.78 ROCK2 (0.54) MAPTKDM4EMEN1ALDH1A1KMT2A
SCHEMBL18559548 0.77 MAPT (0.55) MAPTKDM4EMEN1ALDH1A1KMT2A
SCHEMBL21510145 0.77 MAPT (0.50) MAPTKDM4EMEN1ALDH1A1KMT2A
SCHEMBL18737272 0.77 MAPT (0.50) MAPTKDM4EMEN1ALDH1A1KMT2A
SCHEMBL6181437 0.77 NOS1 (0.55) MAPTKDM4EMEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (1 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 1641/4885KDM4E 1680/4885MEN1 4682/4885

“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.