SCHEMBL4358450

SCHEMBL4358450

O=C(Nc1ccc(Oc2ccccc2)cc1)Nc1cc(Cl)ccc1O

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.68
CA1 P00915 6/20 0.68
CA2 P00918 6/20 0.68
CA9 Q16790 6/20 0.68
MEN1 O00255 1/20 0.60
LMNA P02545 1/20 0.60
MAPT P10636 1/20 0.60
KMT2A Q03164 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
P2RY1 P47900 1/20 0.58
GRIK1 P39086 7/20 0.56
KCNMA1 Q12791 1/20 0.55
NTRK1 P04629 1/20 0.54
CDK19 Q9BWU1 1/20 0.54
PNLIP P16233 1/20 0.53
STK39 Q9UEW8 1/20 0.52
GRIK2 Q13002 1/20 0.52

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
SCHEMBL1883575 0.87 GRIK1 (0.70) CA12CA1CA2CA9MEN1
SCHEMBL3676161 0.85 GRIK1 (0.73) CA12CA1CA2CA9GRIK1
SCHEMBL1883373 0.84 CA12 (0.71) CA12CA1CA2CA9MEN1
SCHEMBL4355989 0.83 STK39 (0.67) CA12CA1CA2CA9MEN1
SCHEMBL4354589 0.82 MEN1 (0.61) CA12CA1CA2CA9MEN1
SCHEMBL21295544 0.81 MAPT (0.67) CA12CA1CA2CA9MEN1
SCHEMBL6252145 0.81 CA12 (0.60) CA12CA1CA2CA9MEN1
SCHEMBL4348609 0.81 EPHX2 (0.64) CA12CA1CA2CA9MEN1
SCHEMBL24438295 0.80 TMPRSS4 (0.76) KCNMA1PNLIPSTK39
SCHEMBL30692667 0.80 TMPRSS4 (0.76) KCNMA1PNLIPSTK39

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 7 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
EP-1402887-A1 New compounds for the inhibition of undesired cell proliferation and use thereof Jerini AG (DE) 2004-03-31 EP claimed
EP-1402888-A1 The use of substituted carbocyclic compounds as rotamases inhibitors Jerini AG (DE) 2004-03-31 EP 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 CA12 2054/4885CA1 374/4885CA2 2053/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 CA12 2458/4885CA1 532/4885CA2 1651/4885

“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.