SCHEMBL4357433

SCHEMBL4357433

Cc1ccc(Sc2ccc([N+](=O)[O-])cc2CNc2cc(Cl)cc(Cl)c2O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 1/20 0.44
PTGES O14684 1/20 0.44
MAPT P10636 5/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
GAA P10253 2/20 0.43
PKM P14618 1/20 0.43
PDE7A Q13946 3/20 0.42
ALDH1A1 P00352 3/20 0.41
CRHBP P24387 1/20 0.41
CASP3 P42574 1/20 0.41
CRHR2 Q13324 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
RAB9A P51151 1/20 0.41
PDE4B Q07343 1/20 0.40
PDE4D Q08499 1/20 0.40
PDE7B Q9NP56 1/20 0.40
PLA2G1B P04054 1/20 0.39

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
SCHEMBL4347067 0.93 PDE7A (0.45) MAPTMEN1KMT2AGAAPKM
SCHEMBL6226382 0.89 TBXA2R (0.42) TBXA2RPTGESMAPTMEN1KMT2A
SCHEMBL4351716 0.89 TBXA2R (0.44) TBXA2RPTGESMAPTMEN1KMT2A
SCHEMBL4345619 0.88 MAPT (0.48) TBXA2RPTGESMAPTMEN1KMT2A
SCHEMBL6224147 0.88 MAPT (0.41) TBXA2RPTGESMAPTMEN1KMT2A
SCHEMBL4358481 0.88 TBXA2R (0.41) TBXA2RPTGESMAPTMEN1KMT2A
SCHEMBL4353746 0.88 TBXA2R (0.41) TBXA2RPTGESMAPTMEN1KMT2A
SCHEMBL4354207 0.87 TBXA2R (0.43) TBXA2RPTGESMAPTMEN1KMT2A
SCHEMBL4344437 0.87 MAPT (0.48) TBXA2RPTGESMAPTMEN1KMT2A
SCHEMBL4354093 0.87 TBXA2R (0.46) TBXA2RPTGESMAPTMEN1KMT2A

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 TBXA2R 2986/4885PTGES 2114/4885MAPT 4439/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 TBXA2R 3125/4885PTGES 1838/4885MAPT 4184/4885

“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.