SCHEMBL4356091

SCHEMBL4356091

Oc1c(Cl)cc(Cl)cc1NCc1cccc(Oc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 12/20 0.49
STK39 Q9UEW8 3/20 0.48
ACLY P53396 1/20 0.48
GNA15 P30679 1/20 0.47
PTGER3 P43115 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 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
SCHEMBL4351954 0.94 STK39 (0.45) FFAR1STK39ACLYGNA15PTGER3
SCHEMBL4350844 0.90 HTT (0.55) FFAR1STK39ACLYKDM4EALDH1A1
SCHEMBL4350104 0.88 MEN1 (0.60) FFAR1ACLYTDP1KDM4EALDH1A1
SCHEMBL4354087 0.87 ACLY (0.43) FFAR1STK39ACLYKDM4EALDH1A1
SCHEMBL4343771 0.87 FFAR1 (0.51) FFAR1GNA15PTGER3FFAR4TDP1
SCHEMBL4346306 0.83 FFAR1 (0.59) FFAR1GNA15PTGER3FFAR4TDP1
SCHEMBL4342411 0.82 FFAR1 (0.45) FFAR1STK39GNA15PTGER3FFAR4
SCHEMBL4357552 0.81 HDAC8 (0.47) FFAR1GNA15PTGER3FFAR4TDP1
SCHEMBL4355650 0.79 BRD4 (0.47) MRGPRX4MEN1KMT2A
SCHEMBL4347926 0.78 FFAR1 (0.52) FFAR1GNA15PTGER3FFAR4TDP1

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 9 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-1539683-A2 PHENOL DERIVATIVES AND THEIR USE AS ROTAMASE INHIBITORS Jerini AG (DE) 2005-06-15 EP claimed
WO-2004030664-A2 NEW COMPOUNDS FOR THE INHIBITION OF UNDESIRED CELL PROLIFERATION AND USE THEREOF JERINI AG (DE) 2004-04-15 WO claimed
WO-2004026815-A2 PHENOL DERIVATIVES AND THEIR USE AS ROTAMASE INHIBITORS JERINI AG (DE) 2004-04-01 WO claimed
US-20110065760-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES AND USE THEREOF JERINI AG (DE) 2011-03-17 US disclosed
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 FFAR1 736/4885STK39 2874/4885ACLY 581/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 FFAR1 780/4885STK39 3388/4885ACLY 905/4885

“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.