SCHEMBL4354452

SCHEMBL4354452

Oc1c(F)cc(Br)cc1NC(=S)NCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
MAPT P10636 4/20 0.50
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
GAA P10253 1/20 0.50
NPSR1 Q6W5P4 2/20 0.48
HPGD P15428 2/20 0.48
LMNA P02545 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MYC P01106 1/20 0.46
MAX P61244 1/20 0.46
HTT P42858 2/20 0.45
MAPK1 P28482 1/20 0.41
POLB P06746 1/20 0.41
MTOR P42345 1/20 0.41
DUSP3 P51452 1/20 0.41

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
SCHEMBL4341854 0.86 MTOR (0.55) MEN1KMT2AMTOR
SCHEMBL4342066 0.85 ALOX12 (0.55) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL4348978 0.83 MEN1 (0.51) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL4348560 0.81 MEN1 (0.56) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL4341860 0.81 MEN1 (0.63) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL4354239 0.79 MEN1 (0.53) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL4351636 0.78 MEN1 (0.61) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL4351477 0.77 MAPT (0.55) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL4355922 0.77 MAPT (0.53) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL4348892 0.75 MAPT (0.54) MEN1KMT2AMAPTALDH1A1SMN1; SMN2

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.