SCHEMBL4350097

SCHEMBL4350097

CCCCCNC(=S)Nc1ccc(O)c(F)c1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.54
LMNA P02545 5/20 0.54
HTT P42858 5/20 0.53
KMT2A Q03164 4/20 0.53
MEN1 O00255 2/20 0.53
MAPT P10636 4/20 0.50
GAA P10253 3/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 1/20 0.50
RECQL P46063 1/20 0.49
NPSR1 Q6W5P4 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
SCHEMBL27761091 0.96 SMN1; SMN2 (0.58) SMN1; SMN2LMNAHTTKMT2AMEN1
SCHEMBL4354051 0.84 SMN1; SMN2 (0.51) SMN1; SMN2LMNAHTTKMT2AMEN1
SCHEMBL4346126 0.83 LMNA (0.61) SMN1; SMN2LMNAHTTKMT2AMEN1
SCHEMBL4343691 0.83 EPHX1 (0.60) SMN1; SMN2HTTKMT2AMEN1MAPT
SCHEMBL17956795 0.80 HTT (0.70) SMN1; SMN2LMNAHTTKMT2AMEN1
SCHEMBL17956794 0.80 HTT (0.70) SMN1; SMN2LMNAHTTKMT2AMEN1
SCHEMBL27782801 0.79 LMNA (0.67) SMN1; SMN2LMNAHTTKMT2AMEN1
SCHEMBL27782774 0.79 RECQL (0.62) SMN1; SMN2LMNAHTTKMT2AMEN1
SCHEMBL4356323 0.78 SMN1; SMN2 (0.62) SMN1; SMN2LMNAHTTKMT2AMEN1
SCHEMBL8443237 0.78 LMNA (0.65) SMN1; SMN2LMNAHTTKMT2AMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2100876-A2 New compounds for the inhibition of rotamases and use thereof Jerini AG (DE) 2009-09-16 EP claimed
CN-1701061-A Novel compounds for inhibiting rotamase enzymes and uses thereof JERINI AG (DE) 2005-11-23 CN claimed
US-20110065760-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES AND USE THEREOF JERINI AG (DE) 2011-03-17 US disclosed
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 (1 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 SMN1; SMN2 1791/4885LMNA 3160/4885HTT 3824/4885

“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.