SCHEMBL4348605

SCHEMBL4348605

Oc1ccc(NC(=S)NCC2CCCCC2)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.55
HTT P42858 4/20 0.55
MAPT P10636 3/20 0.55
ALDH1A1 P00352 3/20 0.55
ALOX12 P18054 2/20 0.55
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
LMNA P02545 3/20 0.53
NPSR1 Q6W5P4 2/20 0.51
EPHX1 P07099 3/20 0.47
EPHX2 P34913 2/20 0.47
HPGD P15428 1/20 0.46
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
S1PR1 P21453 1/20 0.43
KIT P10721 1/20 0.43
PDGFRA P16234 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL4342368 0.85 SMN1; SMN2 (0.52) SMN1; SMN2HTTMAPTALDH1A1ALOX12
SCHEMBL4347666 0.84 ALDH1A1 (0.57) SMN1; SMN2HTTMAPTALDH1A1ALOX12
SCHEMBL4347426 0.84 EPHX1 (0.67) SMN1; SMN2HTTMAPTMEN1KMT2A
SCHEMBL4350019 0.80 SMN1; SMN2 (0.79) SMN1; SMN2HTTMAPTALDH1A1ALOX12
SCHEMBL4345413 0.79 MAPT (0.50) SMN1; SMN2HTTMAPTALDH1A1ALOX12
SCHEMBL8163960 0.79 GRM4 (0.57) SMN1; SMN2HTTMAPTALDH1A1ALOX12
SCHEMBL4343403 0.79 SMN1; SMN2 (0.52) SMN1; SMN2HTTMAPTALDH1A1ALOX12
SCHEMBL4341879 0.76 MAPT (0.46) SMN1; SMN2HTTMAPTALDH1A1ALOX12
SCHEMBL23453328 0.74 ALDH1A1 (0.62) SMN1; SMN2HTTMAPTALDH1A1ALOX12
SCHEMBL4349765 0.74 SMN1; SMN2 (0.52) SMN1; SMN2HTTMAPTALDH1A1ALOX12

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 1791/4885HTT 3824/4885MAPT 4439/4885

“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.