SCHEMBL6526530

SCHEMBL6526530

CC(C)(C)NC(=O)Nc1cc(-c2nc3ccccc3s2)cc(Cl)c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.51
LMNA P02545 5/20 0.51
ALDH1A1 P00352 4/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TP53 P04637 7/20 0.49
KDM4E B2RXH2 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
THRB P10828 2/20 0.46
GAA P10253 1/20 0.46
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
HPGD P15428 1/20 0.44
POLB P06746 1/20 0.44
PTPN7 P35236 1/20 0.44

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
SCHEMBL4347962 0.88 MAPT (0.48) MAPTLMNAALDH1A1L3MBTL1TP53
SCHEMBL4347964 0.88 MAPT (0.48) MAPTLMNAALDH1A1L3MBTL1TP53
SCHEMBL13707849 0.88 ALDH1A1 (0.54) MAPTLMNAALDH1A1L3MBTL1TP53
SCHEMBL6566878 0.85 MAPT (0.53) MAPTTP53KDM4ESMN1; SMN2MEN1
SCHEMBL4505884 0.85 TP53 (0.52) MAPTLMNAALDH1A1TP53KDM4E
SCHEMBL4348870 0.83 MAPT (0.47) MAPTLMNAALDH1A1L3MBTL1TP53
SCHEMBL6568636 0.83 KDM4E (0.49) MAPTLMNAALDH1A1TP53KDM4E
SCHEMBL6524162 0.82 NAMPT (0.57) MAPTLMNAALDH1A1L3MBTL1TP53
SCHEMBL4352804 0.81 MAPT (0.56) MAPTLMNAALDH1A1L3MBTL1TP53
SCHEMBL6565522 0.81 RAB9A (0.56) MAPTLMNAALDH1A1TP53KDM4E

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 7 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
CN-1701061-A Novel compounds for inhibiting rotamase enzymes and uses thereof JERINI AG (DE) 2005-11-23 CN 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
US-20110065760-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES AND USE THEREOF JERINI AG (DE) 2011-03-17 US disclosed
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors JERINI AG (DE) 2007-03-08 US disclosed
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors JERINI AG (DE) 2007-03-08 US 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 3160/4885ALDH1A1 2565/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 MAPT 4184/4885LMNA 3661/4885ALDH1A1 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.