SCHEMBL4350003

SCHEMBL4350003

CC(O)c1cc(Cl)cc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1O

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
EPHX2 P34913 17/20 0.49
LMNA P02545 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
SCHEMBL4346873 0.83 EPHX2 (0.57) MAPTNPSR1EPHX2
SCHEMBL4350899 0.81 EPHX2 (0.60) MAPTNPSR1EPHX2
SCHEMBL4354504 0.75 EPHX2 (0.67) MAPTNPSR1EPHX2
SCHEMBL4348756 0.75 NPSR1 (0.55) MAPTNPSR1EPHX2LMNAHTT
SCHEMBL4353377 0.74 KMT2A (0.54) EPHX2LMNAHTT
SCHEMBL4347844 0.74 KMT2A (0.43) MAPTHTT
SCHEMBL27782812 0.73 GABRA1 (0.42) MAPTLMNAHTT
SCHEMBL4342233 0.73 GRIK1 (0.51) MAPTEPHX2LMNAHTT
SCHEMBL4342004 0.72 KMT2A (0.54) MAPTNPSR1EPHX2LMNAHTT
SCHEMBL4356013 0.71 EPHX1 (0.51) MAPTEPHX2LMNAHTT

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
US-20110065760-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES AND USE THEREOF JERINI AG (DE) 2011-03-17 US claimed
EP-2100876-A2 New compounds for the inhibition of rotamases and use thereof Jerini AG (DE) 2009-09-16 EP claimed
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors JERINI AG (DE) 2007-03-08 US claimed
CN-1701061-A Novel compounds for inhibiting rotamase enzymes and uses thereof JERINI AG (DE) 2005-11-23 CN claimed
WO-2004030664-A2 NEW COMPOUNDS FOR THE INHIBITION OF UNDESIRED CELL PROLIFERATION AND USE THEREOF JERINI AG (DE) 2004-04-15 WO claimed
EP-2100876-A2 New compounds for the inhibition of rotamases and use thereof Jerini AG (DE) 2009-09-16 EP 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-20110065760-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES AND USE THEREOF NR1I3, NR1D1, NR1D2 MAPT 4439/4885NPSR1 99/4885EPHX2 769/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 MAPT 4184/4885NPSR1 240/4885EPHX2 627/4885

“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.