SCHEMBL4345394

SCHEMBL4345394

Oc1ccc(Cl)cc1NC(=S)NCCc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.74
KMT2A Q03164 7/20 0.74
ALOX12 P18054 6/20 0.74
ALDH1A1 P00352 6/20 0.74
LMNA P02545 5/20 0.74
MAPT P10636 3/20 0.74
SMN1; SMN2 Q16637 4/20 0.64
PTPN7 P35236 2/20 0.62
DUSP3 P51452 2/20 0.62
HTT P42858 2/20 0.61
TP53 P04637 1/20 0.61
XBP1 P17861 1/20 0.61
MAPK1 P28482 2/20 0.60
ALOX15 P16050 1/20 0.60
NPC1 O15118 5/20 0.59
RAB9A P51151 5/20 0.59
CYP1A2 P05177 2/20 0.57
CYP2D6 P10635 2/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57

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
SCHEMBL4351334 0.86 SMN1; SMN2 (0.69) MEN1KMT2AALOX12ALDH1A1LMNA
SCHEMBL4359297 0.84 CA1 (0.67) MEN1KMT2AALOX12ALDH1A1LMNA
SCHEMBL4351439 0.83 MEN1 (0.72) MEN1KMT2AALOX12ALDH1A1LMNA
SCHEMBL6958878 0.79 MAPT (0.83) MEN1KMT2AALOX12ALDH1A1LMNA
SCHEMBL6955649 0.79 MAPT (1.00) MEN1KMT2AALOX12ALDH1A1LMNA
SCHEMBL4347106 0.78 MAPT (0.68) MEN1KMT2AALOX12ALDH1A1LMNA
SCHEMBL6965791 0.78 LMNA (0.74) MEN1KMT2AALOX12ALDH1A1LMNA
SCHEMBL4348959 0.78 ALOX12 (0.61) MEN1KMT2AALOX12ALDH1A1LMNA
SCHEMBL27761076 0.78 SMN1; SMN2 (0.62) MEN1KMT2AALOX12ALDH1A1LMNA
SCHEMBL6516283 0.78 KMT2A (0.88) MEN1KMT2AALOX12ALDH1A1LMNA

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 5 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-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 MEN1 2168/4885KMT2A 2096/4885ALOX12 1546/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 MEN1 3901/4885KMT2A 1254/4885ALOX12 1994/4885

“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.