SCHEMBL4352145

SCHEMBL4352145

CC(C)NC(=S)Nc1cccc(F)c1O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 5/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 3/20 0.43
ALOX12 P18054 3/20 0.43
KDM4E B2RXH2 1/20 0.43
RAB9A P51151 1/20 0.43
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL6226388 0.90 ALDH1A1 (0.43) LMNAKMT2AL3MBTL1ALDH1A1GAA
SCHEMBL4341631 0.81 LMNA (0.49) LMNAKMT2AALDH1A1HPGDALOX12
SCHEMBL4352164 0.81 LMNA (0.42) LMNAKMT2AL3MBTL1ALDH1A1HPGD
SCHEMBL4346266 0.77 POLB (0.48) KMT2AL3MBTL1ALDH1A1GAAHPGD
SCHEMBL4347353 0.75 KMT2A (0.58) LMNAKMT2AALDH1A1GAAHPGD
SCHEMBL4351728 0.75 LMNA (0.38) LMNAKMT2AL3MBTL1ALDH1A1HPGD
SCHEMBL27782813 0.73 SMN1; SMN2 (0.76) LMNAKMT2AL3MBTL1ALDH1A1GAA
SCHEMBL4354001 0.73 LMNA (0.62) LMNAKMT2AALDH1A1GAAALOX12
SCHEMBL5448135 0.72 LMNA (0.69) LMNAKMT2AALDH1A1GAAKDM4E
SCHEMBL4353757 0.72 KMT2A (0.60) LMNAKMT2AALDH1A1GAAHPGD

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 LMNA 3160/4885KMT2A 2096/4885L3MBTL1 1972/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 LMNA 3661/4885KMT2A 1254/4885L3MBTL1 2528/4885

“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.