SCHEMBL1521069

SCHEMBL1521069

CSC(=S)NCCc1ccncc1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.70
SMN1; SMN2 Q16637 5/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
KDM4E B2RXH2 1/20 0.47
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CTH P32929 1/20 0.44
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 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
SCHEMBL2794397 0.82 IDO1 (1.00) IDO1SMN1; SMN2HTTRAB9ANPC1
SCHEMBL2930645 0.81 SMN1; SMN2 (0.73) IDO1SMN1; SMN2HTTRAB9ANPC1
SCHEMBL2930725 0.81 IDO1 (0.72) IDO1SMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL2932575 0.79 IDO1 (0.70) IDO1SMN1; SMN2RAB9AALDH1A1KMT2A
SCHEMBL2792097 0.79 IDO1 (0.70) IDO1SMN1; SMN2HTTRAB9ANPC1
SCHEMBL2930785 0.77 LMNA (0.66) IDO1SMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL525331 0.77 IDO1 (0.62) IDO1SMN1; SMN2HTTRAB9ANPC1
SCHEMBL424305 0.73 KDM4E (0.65) SMN1; SMN2HTTRAB9ANPC1KDM4E
SCHEMBL424304 0.73 HDAC2 (0.58) SMN1; SMN2HTTRAB9ANPC1KDM4E
SCHEMBL10566671 0.72 IDO1 (0.81) IDO1SMN1; SMN2HTTRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110053941-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-03-03 US claimed
EP-2227233-A2 IDO INHIBITORS Newlink Genetics (US) 2010-09-15 EP claimed
WO-2009073620-A2 IDO INHIBITORS NEWLINK GENETICS (US) 2009-06-11 WO claimed
US-20130289083-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION 2013-10-31 US disclosed
EP-2227233-B1 IDO INHIBITORS NEWLINK GENETICS (US) 2013-02-13 EP disclosed
US-20110053941-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-03-03 US disclosed
US-20110053941-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-03-03 US disclosed
EP-2227233-A2 IDO INHIBITORS Newlink Genetics (US) 2010-09-15 EP disclosed
WO-2009073620-A2 IDO INHIBITORS NEWLINK GENETICS (US) 2009-06-11 WO 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-20110053941-A1 IDO Inhibitors IDO1, IDO2, INMT IDO1 1/4885SMN1; SMN2 4672/4885HTT 3243/4885
US-20130289083-A1 IDO Inhibitors IDO1, IDO2, INMT IDO1 1/4885SMN1; SMN2 4556/4885HTT 3609/4885

“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.