SCHEMBL3738945

SCHEMBL3738945

O=C(CF)NCc1ccc(NC(=O)CF)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.50
GAA P10253 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
RAB9A P51151 4/20 0.47
POLB P06746 3/20 0.47
LMNA P02545 1/20 0.47
TPSAB1 Q15661 2/20 0.47
MAOB P27338 1/20 0.46
PTPN1 P18031 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MTOR P42345 1/20 0.45
HTT P42858 1/20 0.45
HPGD P15428 2/20 0.44

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
SCHEMBL3802255 0.90 NPC1 (0.45) NPC1GAAMEN1KMT2ARAB9A
SCHEMBL3737379 0.88 PTPN1 (0.62) NPC1GAAMEN1KMT2ALMNA
SCHEMBL3729171 0.88 PTPN1 (0.54) NPC1GAAMEN1KMT2ARAB9A
SCHEMBL28755070 0.84 HPGD (0.46) NPC1MEN1KMT2ARAB9ALMNA
SCHEMBL27672365 0.81 TRPV1 (0.54) GAAKMT2ARAB9ALMNATPSAB1
SCHEMBL27752775 0.81 TPSAB1 (0.50) GAAKMT2ARAB9ALMNATPSAB1
SCHEMBL3756811 0.79 KMT2A (0.65) NPC1MEN1KMT2ARAB9APOLB
SCHEMBL3756809 0.79 LMNA (0.49) GAAMEN1KMT2ARAB9ALMNA
SCHEMBL29375630 0.79 L3MBTL1 (0.62) GAAMEN1KMT2APOLBLMNA
SCHEMBL27662348 0.79 GAA (0.50) GAAKMT2APOLBTPSAB1

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 NPC1 1309/4885GAA 394/4885MEN1 612/4885

“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.