SCHEMBL4347495

SCHEMBL4347495

Oc1c(Cl)cccc1NC(=S)NCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.60
KMT2A Q03164 7/20 0.60
MAPT P10636 5/20 0.60
HTT P42858 4/20 0.60
LMNA P02545 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.57
GAA P10253 2/20 0.56
ALDH1A1 P00352 5/20 0.55
NPSR1 Q6W5P4 3/20 0.55
HPGD P15428 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALOX12 P18054 1/20 0.48
MYC P01106 1/20 0.48
MAX P61244 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
SCHEMBL4348560 0.86 MEN1 (0.56) MEN1KMT2AMAPTHTTLMNA
SCHEMBL4357504 0.85 TRPV1 (0.61) MEN1KMT2AMAPT
SCHEMBL4341984 0.84 GAA (0.65) MEN1KMT2AMAPTHTTLMNA
SCHEMBL4351477 0.84 MAPT (0.55) MEN1KMT2AMAPTHTTLMNA
SCHEMBL4353668 0.82 MAPK1 (0.54) MEN1KMT2AMAPTHTTLMNA
SCHEMBL4357497 0.80 MEN1 (0.61) MEN1KMT2AMAPTHTTLMNA
SCHEMBL4355922 0.79 MAPT (0.53) MEN1KMT2AMAPTHTTLMNA
SCHEMBL4354239 0.79 MEN1 (0.53) MEN1KMT2AMAPTHTTLMNA
SCHEMBL4359738 0.78 KMT2A (0.58) MEN1KMT2AMAPTHTTLMNA
SCHEMBL4348892 0.77 MAPT (0.54) MEN1KMT2AMAPTHTTLMNA

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
CN-100546977-C Suppress the new compound and the application thereof of rotamase JERINI AG (DE) 2009-10-07 CN 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 2096/4885MAPT 4439/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 MEN1 3901/4885KMT2A 1254/4885MAPT 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.