SCHEMBL4359738

SCHEMBL4359738

Oc1ccc(Cl)cc1NC(=S)NCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.58
MAPT P10636 4/20 0.58
MEN1 O00255 4/20 0.58
NPSR1 Q6W5P4 2/20 0.58
HTT P42858 1/20 0.58
ALDH1A1 P00352 6/20 0.55
POLB P06746 1/20 0.53
GAA P10253 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 3/20 0.52
CHRNA7 P36544 1/20 0.51
MCHR1 Q99705 1/20 0.49
HPGD P15428 2/20 0.48
ALOX12 P18054 1/20 0.48
MYC P01106 1/20 0.48
MAX P61244 1/20 0.48
DUSP3 P51452 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
P2RX1 P51575 1/20 0.47
TMPRSS4 Q9NRS4 1/20 0.47

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
SCHEMBL4357690 0.85 CHRNA7 (0.64) KMT2AMEN1HTTCHRNA7P2RX1
SCHEMBL4351477 0.84 MAPT (0.55) KMT2AMAPTMEN1NPSR1HTT
SCHEMBL4351334 0.83 SMN1; SMN2 (0.69) KMT2AMAPTMEN1NPSR1HTT
SCHEMBL4353931 0.82 TMPRSS4 (0.58) KMT2AMAPTMEN1NPSR1HTT
SCHEMBL4357659 0.80 MAPT (0.62) KMT2AMAPTMEN1NPSR1HTT
SCHEMBL4348892 0.80 MAPT (0.54) KMT2AMAPTMEN1NPSR1HTT
SCHEMBL4345512 0.79 KMT2A (0.49) KMT2AMAPTMEN1NPSR1HTT
SCHEMBL4345508 0.78 KMT2A (0.48) KMT2AMAPTMEN1NPSR1HTT
SCHEMBL2838244 0.78 CHRNA7 (0.76) KMT2AMAPTMEN1ALDH1A1POLB
SCHEMBL4347495 0.78 MEN1 (0.60) KMT2AMAPTMEN1NPSR1HTT

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 KMT2A 2096/4885MAPT 4439/4885MEN1 2168/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 KMT2A 1254/4885MAPT 4184/4885MEN1 3901/4885

“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.