SCHEMBL4350104

SCHEMBL4350104

Oc1c(Cl)cc(Cl)cc1NCc1cccc(OCc2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
ALDH1A1 P00352 3/20 0.60
MAPT P10636 2/20 0.60
THRB P10828 2/20 0.60
PKM P14618 2/20 0.60
RAB9A P51151 2/20 0.60
BLM P54132 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
KDM4E B2RXH2 1/20 0.60
GAA P10253 1/20 0.60
BCHE P06276 6/20 0.57
FFAR1 O14842 1/20 0.51
ACLY P53396 2/20 0.49
LMNA P02545 1/20 0.49
RECQL P46063 1/20 0.49
CASP6 P55212 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPK1 P28482 2/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL4356091 0.88 FFAR1 (0.49) MEN1KMT2AALDH1A1KDM4EFFAR1
SCHEMBL4356354 0.88 MEN1 (0.62) MEN1KMT2AALDH1A1MAPTTHRB
SCHEMBL4348882 0.84 MEN1 (0.71) MEN1KMT2AALDH1A1MAPTTHRB
SCHEMBL12846749 0.82 MEN1 (0.56) MEN1KMT2AALDH1A1MAPTTHRB
SCHEMBL4351954 0.81 STK39 (0.45) ALDH1A1KDM4EGAAFFAR1ACLY
SCHEMBL4359794 0.81 GAA (0.57) MEN1KMT2AALDH1A1MAPTTHRB
SCHEMBL4345623 0.80 MEN1 (0.58) MEN1KMT2AALDH1A1MAPTTHRB
SCHEMBL4350844 0.79 HTT (0.55) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL12846804 0.79 MEN1 (0.64) MEN1KMT2AALDH1A1MAPTTHRB
SCHEMBL4355854 0.78 MEN1 (0.60) MEN1KMT2AALDH1A1MAPTTHRB

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 10 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
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 2168/4885KMT2A 2096/4885ALDH1A1 2565/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 MEN1 3901/4885KMT2A 1254/4885ALDH1A1 2767/4885

“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.