SCHEMBL4348984

SCHEMBL4348984

CCCCCNC(=S)Nc1ccc(O)cc1O

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.50
NAAA Q02083 1/20 0.49
LMNA P02545 4/20 0.47
HTT P42858 2/20 0.46
HPGD P15428 1/20 0.45
RECQL P46063 1/20 0.45

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
SCHEMBL27761093 0.95 SMN1; SMN2 (0.55) SMN1; SMN2NAAALMNAHTTHPGD
SCHEMBL4341280 0.82 EPHX2 (0.57) NAAAHTT
SCHEMBL28784043 0.78 POLB (0.56) SMN1; SMN2NAAAHTTHPGD
SCHEMBL4346806 0.77 SMN1; SMN2 (0.58) SMN1; SMN2LMNAHTT
SCHEMBL13805540 0.77 SMN1; SMN2 (0.45) SMN1; SMN2LMNAHTTHPGDRECQL
SCHEMBL8438232 0.77 LMNA (0.65) SMN1; SMN2LMNAHTTHPGD
SCHEMBL8391699 0.77 LMNA (0.65) SMN1; SMN2LMNAHTTHPGD
SCHEMBL8443237 0.77 LMNA (0.65) SMN1; SMN2LMNAHTTHPGD
SCHEMBL8442878 0.77 LMNA (0.65) SMN1; SMN2LMNAHTTHPGD
SCHEMBL8439096 0.77 LMNA (0.65) SMN1; SMN2LMNAHTTHPGD

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 SMN1; SMN2 1791/4885NAAA 2425/4885LMNA 3160/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 SMN1; SMN2 3250/4885NAAA 2193/4885LMNA 3661/4885

“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.