SCHEMBL1520003

SCHEMBL1520003

S=C(NCCc1c[nH]c2ccccc12)SCCc1c[nH]c2ccccc12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.76
MEN1 O00255 8/20 0.60
KMT2A Q03164 8/20 0.60
LMNA P02545 2/20 0.60
CYP1A2 P05177 1/20 0.60
PKM P14618 1/20 0.60
TSHR P16473 1/20 0.60
CYP2C19 P33261 1/20 0.60
BLM P54132 1/20 0.60
MAPT P10636 5/20 0.60
MAPK1 P28482 2/20 0.60
G6PD P11413 1/20 0.58
MMP9 P14780 1/20 0.58
AANAT Q16613 1/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
ALOX12 P18054 2/20 0.57
POLB P06746 1/20 0.57
GAA P10253 1/20 0.57
ALDH1A1 P00352 2/20 0.56

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
SCHEMBL1520005 0.93 IDO1 (0.70) IDO1MEN1KMT2ALMNACYP1A2
SCHEMBL12599123 0.92 IDO1 (0.72) IDO1MEN1KMT2ALMNACYP1A2
SCHEMBL2923309 0.92 IDO1 (0.65) IDO1MEN1KMT2ALMNACYP1A2
SCHEMBL1519887 0.92 IDO1 (0.65) IDO1MEN1KMT2ALMNACYP1A2
SCHEMBL1520273 0.92 IDO1 (0.65) IDO1MEN1KMT2ALMNACYP1A2
SCHEMBL1520111 0.88 IDO1 (0.67) IDO1MEN1KMT2ALMNACYP1A2
SCHEMBL1520463 0.88 IDO1 (0.63) IDO1MEN1KMT2ALMNACYP1A2
SCHEMBL1520337 0.88 IDO1 (0.63) IDO1MEN1KMT2ALMNACYP1A2
SCHEMBL1520165 0.88 IDO1 (0.63) IDO1MEN1KMT2ALMNACYP1A2
Methyl Tryptaminedithiocarbamate SCHEMBL2791255 0.86 IDO1 (1.00) IDO1MEN1KMT2ALMNACYP1A2

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 10 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
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 1/4885MEN1 2052/4885KMT2A 597/4885
US-20130289083-A1 IDO Inhibitors IDO1, IDO2, INMT IDO1 1/4885MEN1 2267/4885KMT2A 660/4885

“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.