SCHEMBL4357552

SCHEMBL4357552

Cc1c(Cl)cc(NCc2cccc(Oc3ccccc3)c2)c(O)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.47
FFAR1 O14842 14/20 0.46
GNA15 P30679 1/20 0.45
PTGER3 P43115 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GRM2 Q14416 1/20 0.43
MAPT P10636 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL4354919 0.93 ALDH1A1 (0.42) HDAC8FFAR1GNA15PTGER3FFAR4
SCHEMBL4343612 0.92 ALDH1A1 (0.50) HDAC8FFAR1KDM4EALDH1A1HTT
SCHEMBL12846780 0.89 FAAH (0.39) HDAC8FFAR1GNA15PTGER3FFAR4
SCHEMBL12846749 0.88 MEN1 (0.56) FFAR1TDP1KDM4EALDH1A1MAPT
SCHEMBL4351839 0.86 HDAC8 (0.45) HDAC8KDM4EALDH1A1HTTMAPT
SCHEMBL4345563 0.82 BRD4 (0.49)
SCHEMBL4356091 0.81 FFAR1 (0.49) HDAC8FFAR1GNA15PTGER3FFAR4
SCHEMBL4343771 0.81 FFAR1 (0.51) HDAC8FFAR1GNA15PTGER3FFAR4
SCHEMBL4346306 0.77 FFAR1 (0.59) FFAR1GNA15PTGER3FFAR4TDP1
SCHEMBL4349831 0.77 RXFP1 (0.46) FFAR1FFAR4TDP1MEN1KMT2A

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 8 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
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
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors JERINI AG (DE) 2007-03-08 US disclosed
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors JERINI AG (DE) 2007-03-08 US 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 HDAC8 1249/4885FFAR1 736/4885GNA15 4070/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 HDAC8 439/4885FFAR1 780/4885GNA15 4377/4885

“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.