SCHEMBL4350091

SCHEMBL4350091

O=C(CCc1ccccc1)Nc1cc(-c2nc3ccccc3s2)cc(Cl)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.53
LMNA P02545 4/20 0.53
CSNK1D P48730 1/20 0.53
TP53 P04637 4/20 0.52
THRB P10828 1/20 0.49
RXFP1 Q9HBX9 1/20 0.48
MGLL Q99685 5/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
HPGD P15428 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
PKM P14618 1/20 0.48
NFKB1 P19838 1/20 0.48
HTT P42858 1/20 0.48
NFKB2 Q00653 1/20 0.48
CACNA1B Q00975 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
SCHEMBL6519124 0.86 MAPT (0.47) MAPTLMNATP53THRBMGLL
SCHEMBL6524162 0.84 NAMPT (0.57) MAPTLMNATP53MGLLMEN1
SCHEMBL4505884 0.83 TP53 (0.52) MAPTLMNATP53THRBMGLL
SCHEMBL6669888 0.83 GAA (0.51) MAPTLMNACSNK1DTP53THRB
SCHEMBL12846654 0.82 MAPT (0.49) MAPTLMNATP53THRBMEN1
SCHEMBL4348632 0.82 CSNK1D (0.53) MAPTLMNACSNK1DTP53THRB
SCHEMBL6566878 0.81 MAPT (0.53) MAPTTP53RXFP1MGLLMEN1
SCHEMBL12846731 0.80 MAPT (0.50) MAPTLMNATP53MGLLMEN1
SCHEMBL12846756 0.78 TP53 (0.49) MAPTLMNATP53THRBRXFP1
SCHEMBL6568583 0.78 ALOX5 (0.58) MAPTLMNATP53THRBRXFP1

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 9 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-2004026815-A2 PHENOL DERIVATIVES AND THEIR USE AS ROTAMASE INHIBITORS JERINI AG (DE) 2004-04-01 WO claimed
EP-1402887-A1 New compounds for the inhibition of undesired cell proliferation and use thereof Jerini AG (DE) 2004-03-31 EP claimed
EP-1402888-A1 The use of substituted carbocyclic compounds as rotamases inhibitors Jerini AG (DE) 2004-03-31 EP 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 4439/4885LMNA 3160/4885CSNK1D 463/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 MAPT 4184/4885LMNA 3661/4885CSNK1D 412/4885

“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.