SCHEMBL4359290

SCHEMBL4359290

CCc1c(Cl)cc(NCc2ccccc2Sc2ccc([N+](=O)[O-])cc2)c(O)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.44
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
LMNA P02545 4/20 0.44
PLA2G1B P04054 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
RORC P51449 1/20 0.40
PDE7A Q13946 2/20 0.40
ALDH1A1 P00352 3/20 0.38
THRB P10828 1/20 0.38
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL4349221 0.89 MAPT (0.46) MAPTMEN1KMT2AGAAPKM
SCHEMBL4342187 0.88 MAPT (0.41) MAPTMEN1KMT2AGAAPKM
SCHEMBL4354149 0.87 SLC6A4 (0.43) MAPTMEN1KMT2AGAALMNA
SCHEMBL4342036 0.87 TBXA2R (0.42) MAPTMEN1KMT2AGAAPKM
SCHEMBL4341288 0.87 SMN1; SMN2 (0.39) MEN1KMT2AALDH1A1CYP2D6CYP2C9
SCHEMBL4341608 0.86 MAPT (0.37) MAPTMEN1KMT2ALMNAL3MBTL1
SCHEMBL4357498 0.84 HTR1A (0.35) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL4359433 0.83 KMT2A (0.51) MAPTMEN1KMT2AGAAPKM
SCHEMBL4342324 0.83 MAPT (0.46) MAPTMEN1KMT2AGAAPKM
SCHEMBL4350903 0.83 LMNA (0.39) MAPTMEN1KMT2ALMNAALDH1A1

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 MAPT 4439/4885MEN1 2168/4885KMT2A 2096/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 MAPT 4184/4885MEN1 3901/4885KMT2A 1254/4885

“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.