SCHEMBL3729174

SCHEMBL3729174

CC(=O)NC(NC(=O)CF)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.57
CNR1 P21554 1/20 0.50
CYP1A2 P05177 1/20 0.49
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.46
MTNR1A P48039 1/20 0.45
MTNR1B P49286 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
SCHEMBL3738949 0.93 CNR2 (0.65) CNR2CNR1ALDH1A1
SCHEMBL3735283 0.85 CYP1A2 (0.63) CNR2CNR1CYP1A2ALDH1A1TSHR
SCHEMBL3802259 0.85 CNR2 (0.56) CNR2CNR1ALDH1A1
SCHEMBL3742027 0.83 CNR2 (0.57) CNR2CNR1CYP1A2ALDH1A1TSHR
SCHEMBL5307928 0.80 CYP1A2 (0.57) CNR2CNR1CYP1A2ALDH1A1TSHR
SCHEMBL6427169 0.79 MAPT (0.63) ALDH1A1
SCHEMBL19559002 0.76 MME (0.48) ALDH1A1TSHR
SCHEMBL13392839 0.76 CYP1A2 (0.52) CNR2CYP1A2ALDH1A1TSHRMTNR1A
SCHEMBL4196370 0.74 CYP1A2 (0.50) CNR2CYP1A2ALDH1A1TSHRMTNR1A
SCHEMBL6675601 0.74 CYP1A2 (0.50) CNR2CNR1CYP1A2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100278730-A1 Non-Invasive Molecular Imaging of Cellular Histone Deacetylase Substrate Using Magnetic Resonance Spectroscopy (MRS) or Positron Emission Tomography (PET) BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2010-11-04 US claimed
WO-2009009179-A2 NON-INVASIVE MOLECULAR IMAGING OF CELLULAR HISTONE DEACETYLASE SUBSTRATE USING MAGNETIC RESONANCE SPECTROSCOPY (MRS) OR POSITRON EMISSION TOMOGRAPHY (PET) BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-01-15 WO claimed
US-20100278730-A1 Non-Invasive Molecular Imaging of Cellular Histone Deacetylase Substrate Using Magnetic Resonance Spectroscopy (MRS) or Positron Emission Tomography (PET) BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2010-11-04 US disclosed
WO-2009009179-A2 NON-INVASIVE MOLECULAR IMAGING OF CELLULAR HISTONE DEACETYLASE SUBSTRATE USING MAGNETIC RESONANCE SPECTROSCOPY (MRS) OR POSITRON EMISSION TOMOGRAPHY (PET) BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-01-15 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-20100278730-A1 Non-Invasive Molecular Imaging of Cellular Histone Deacetylase Substrate Using Magnetic Resonance Spectroscopy (MRS) or Positron Emission Tomography (PET) HDAC1, HDAC3, HDAC10 CNR2 4288/4885CNR1 3978/4885CYP1A2 4709/4885

“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.