SCHEMBL4355922

SCHEMBL4355922

Cc1c(Cl)cc(NC(=S)NCc2ccc(C(F)(F)F)cc2)c(O)c1Cl

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.53
▸ MEN1 O00255 4/20 0.53
▸ KMT2A Q03164 4/20 0.53
▸ HTT P42858 3/20 0.53
▸ LMNA P02545 3/20 0.53
▸ NPSR1 Q6W5P4 2/20 0.48
▸ ALDH1A1 P00352 5/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ GAA P10253 2/20 0.48
▸ POLB P06746 1/20 0.46
▸ MCHR1 Q99705 1/20 0.46
▸ HPGD P15428 2/20 0.44
▸ ALOX12 P18054 1/20 0.44
▸ MYC P01106 1/20 0.44
▸ MAX P61244 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL4345518 0.86 MTOR (0.53) MEN1KMT2AHTT
SCHEMBL4351301 0.84 SMN1; SMN2 (0.60) MAPTHTTLMNANPSR1ALDH1A1
SCHEMBL4347865 0.83 MEN1 (0.46) MAPTMEN1KMT2AHTTLMNA
SCHEMBL4351477 0.82 MAPT (0.55) MAPTMEN1KMT2AHTTLMNA
SCHEMBL4347495 0.79 MEN1 (0.60) MAPTMEN1KMT2AHTTLMNA
SCHEMBL4357497 0.78 MEN1 (0.61) MAPTMEN1KMT2AHTTLMNA
SCHEMBL4345508 0.77 KMT2A (0.48) MAPTMEN1KMT2AHTTLMNA
SCHEMBL4354452 0.77 MEN1 (0.50) MAPTMEN1KMT2AHTTLMNA
SCHEMBL4359738 0.76 KMT2A (0.58) MAPTMEN1KMT2AHTTLMNA
SCHEMBL4357775 0.76 KMT2A (0.55) MAPTKMT2ALMNANPSR1ALDH1A1

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

“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.

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