SCHEMBL4351392

SCHEMBL4351392

Oc1ccc(NCc2cccc(Oc3ccc(Cl)cc3)c2)c(O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
LMNA P02545 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
THRB P10828 1/20 0.42
PKM P14618 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
STK39 Q9UEW8 1/20 0.41
GNA15 P30679 1/20 0.41

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
SCHEMBL4342011 0.90 KDM4E (0.52) FFAR1ALDH1A1KDM4EMAPTRAB9A
SCHEMBL4346864 0.88 ALDH1A1 (0.55) FFAR1ALDH1A1KDM4EMAPTRAB9A
SCHEMBL4353965 0.84 FAAH (0.42) FFAR1ALDH1A1KDM4EMAPTRAB9A
SCHEMBL4342411 0.84 FFAR1 (0.45) FFAR1PPARGPPARALMNAMRGPRX4
SCHEMBL4344413 0.81 MEN1 (0.44) FFAR1PPARGPPARALMNAMRGPRX4
SCHEMBL4351954 0.80 STK39 (0.45) FFAR1PPARGPPARALMNAMRGPRX4
SCHEMBL4345590 0.79 MEN1 (0.44) FFAR1PPARGPPARALMNAMRGPRX4
SCHEMBL4347717 0.78 MEN1 (0.69) FFAR1LMNAALDH1A1KDM4EMAPT
SCHEMBL4358556 0.78 MAPT (0.54) FFAR1ALDH1A1KDM4EMAPTRAB9A
SCHEMBL4347926 0.77 FFAR1 (0.52) FFAR1PPARGPPARALMNAALDH1A1

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
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
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 736/4885PPARG 417/4885PPARA 683/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 FFAR1 780/4885PPARG 143/4885PPARA 369/4885

“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.