SCHEMBL4354187

SCHEMBL4354187

Cc1c(Cl)cc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)c(O)c1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.59
LMNA P02545 2/20 0.59
MAPT P10636 2/20 0.59
KMT2A Q03164 2/20 0.59
NPSR1 Q6W5P4 1/20 0.59
CA12 O43570 4/20 0.51
CA1 P00915 4/20 0.51
CA2 P00918 4/20 0.51
CA9 Q16790 4/20 0.51
STK39 Q9UEW8 1/20 0.51
P2RY1 P47900 1/20 0.48
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RAF1 P04049 3/20 0.47
NPC1 O15118 1/20 0.46
CRHBP P24387 1/20 0.46
RAB9A P51151 1/20 0.46
CRHR2 Q13324 1/20 0.46
CDK8 P49336 1/20 0.46
MAPK14 Q16539 2/20 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
SCHEMBL4359810 0.89 MEN1 (0.56) MEN1LMNAMAPTKMT2ANPSR1
SCHEMBL6226060 0.86 EPHX2 (0.65) RAF1
SCHEMBL4348718 0.83 MEN1 (0.53) MEN1LMNAMAPTKMT2ACA12
SCHEMBL4356110 0.82 EPHX2 (0.58) MEN1MAPTKMT2ANPSR1P2RY1
SCHEMBL4355989 0.81 STK39 (0.67) MEN1LMNAMAPTKMT2ANPSR1
SCHEMBL4357662 0.81 MAPT (0.62) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL4350770 0.79 MEN1 (0.67) MEN1LMNAMAPTKMT2ANPSR1
SCHEMBL4358581 0.79 KMT2A (0.50) MEN1LMNAMAPTKMT2ANPSR1
SCHEMBL4347494 0.79 MEN1 (0.74) MEN1LMNAMAPTKMT2ANPSR1
SCHEMBL4351261 0.78 DDX3X (0.54) MEN1MAPTKMT2ACA12CA1

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 MEN1 2168/4885LMNA 3160/4885MAPT 4439/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 MEN1 3901/4885LMNA 3661/4885MAPT 4184/4885

“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.