SCHEMBL4347019

SCHEMBL4347019

Cc1ccccc1CNC(=S)Nc1cc(Cl)cc(Cl)c1O

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 5/20 0.59
LMNA P02545 4/20 0.59
MAPT P10636 4/20 0.59
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
HPGD P15428 3/20 0.53
ALDH1A1 P00352 5/20 0.52
HTT P42858 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
SMN1; SMN2 Q16637 5/20 0.49
PPARG P37231 1/20 0.48
NCOA3 Q9Y6Q9 1/20 0.48
GAA P10253 2/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MCHR1 Q99705 1/20 0.43

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
SCHEMBL4342033 0.85 RAB9A (0.61) MEN1KMT2AHPGDALDH1A1PPARG
SCHEMBL4347975 0.85 ALOX12 (0.51) ALOX12LMNAMAPTMEN1KMT2A
SCHEMBL4351417 0.85 MEN1 (0.70) ALOX12LMNAMAPTMEN1KMT2A
SCHEMBL4350883 0.84 MEN1 (0.59) ALOX12LMNAMAPTMEN1KMT2A
SCHEMBL4351089 0.84 LMNA (0.64) ALOX12LMNAMAPTMEN1KMT2A
SCHEMBL4348819 0.83 MEN1 (0.54) ALOX12LMNAMAPTMEN1KMT2A
SCHEMBL4354009 0.82 SMN1; SMN2 (0.60) ALOX12LMNAMAPTMEN1KMT2A
SCHEMBL4357807 0.76 MAPT (0.54) ALOX12LMNAMAPTMEN1KMT2A
SCHEMBL4354182 0.76 ALOX12 (0.51) ALOX12LMNAMAPTMEN1KMT2A
SCHEMBL4345595 0.76 MEN1 (0.46) ALOX12LMNAMAPTMEN1KMT2A

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 6 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
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

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 ALOX12 1546/4885LMNA 3160/4885MAPT 4439/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 ALOX12 1994/4885LMNA 3661/4885MAPT 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.