SCHEMBL4353768

SCHEMBL4353768

Oc1c(Cl)cc(Cl)cc1NC(=S)NCC1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.49
HPGD P15428 4/20 0.49
MAPT P10636 7/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
NPC1 O15118 2/20 0.44
CYP1A2 P05177 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HTT P42858 5/20 0.43
ALDH1A1 P00352 5/20 0.43
ALOX12 P18054 2/20 0.43
GAA P10253 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
EPHX1 P07099 1/20 0.41
EPHX2 P34913 1/20 0.41
LMNA P02545 3/20 0.40
GRM4 Q14833 1/20 0.40
ALPL P05186 1/20 0.39

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
SCHEMBL4348741 0.84 EPHX1 (0.56) SMN1; SMN2MAPTMEN1KMT2ANPC1
SCHEMBL4345580 0.84 SMN1; SMN2 (0.45) SMN1; SMN2HPGDMAPTMEN1KMT2A
SCHEMBL4345575 0.83 SMN1; SMN2 (0.46) SMN1; SMN2HPGDMAPTMEN1KMT2A
SCHEMBL4342368 0.82 SMN1; SMN2 (0.52) SMN1; SMN2HPGDMAPTMEN1KMT2A
SCHEMBL4342275 0.82 SMN1; SMN2 (0.58) SMN1; SMN2HPGDMAPTMEN1KMT2A
SCHEMBL4343403 0.82 SMN1; SMN2 (0.52) SMN1; SMN2HPGDMAPTMEN1KMT2A
SCHEMBL4342422 0.81 SMN1; SMN2 (0.49) SMN1; SMN2HPGDMAPTMEN1KMT2A
SCHEMBL4354694 0.80 MEN1 (0.68) SMN1; SMN2HPGDMAPTMEN1KMT2A
SCHEMBL8163960 0.79 GRM4 (0.57) SMN1; SMN2HPGDMAPTMEN1KMT2A
SCHEMBL6672080 0.77 EPHX1 (0.48) SMN1; SMN2MAPTMEN1KMT2ANPC1

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 1791/4885HPGD 3561/4885MAPT 4439/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 SMN1; SMN2 3250/4885HPGD 3127/4885MAPT 4184/4885

“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.