SCHEMBL1520004

SCHEMBL1520004

S=C(NCCc1c[nH]c2ccccc12)Nc1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 11/20 0.81
KMT2A Q03164 11/20 0.81
MAPT P10636 10/20 0.81
ALOX12 P18054 6/20 0.81
GAA P10253 2/20 0.81
TDP1 Q9NUW8 4/20 0.76
LMNA P02545 4/20 0.76
ALDH1A1 P00352 3/20 0.76
HTT P42858 2/20 0.76
MAPK1 P28482 3/20 0.76
SMN1; SMN2 Q16637 3/20 0.70
IDO1 P14902 1/20 0.66
NPSR1 Q6W5P4 1/20 0.64
LTC4S Q16873 1/20 0.63
POLB P06746 1/20 0.62
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
GOT1 P17174 1/20 0.59

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
SCHEMBL11887783 0.86 MAPT (0.72) MEN1KMT2AMAPTALOX12GAA
SCHEMBL12049633 0.85 MEN1 (0.76) MEN1KMT2AMAPTALOX12GAA
SCHEMBL176108 0.84 IDO1 (0.70) MEN1KMT2AMAPTALOX12GAA
SCHEMBL734585 0.84 MEN1 (1.00) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL13719678 0.84 MEN1 (0.72) MEN1KMT2AMAPTALOX12GAA
SCHEMBL5625480 0.83 IDO1 (0.69) MEN1KMT2AMAPTALOX12GAA
SCHEMBL173465 0.82 MAPT (0.68) MEN1KMT2AMAPTALOX12GAA
SCHEMBL14700058 0.80 IDO1 (0.68) MEN1KMT2AMAPTALOX12GAA
SCHEMBL6028397 0.80 IDO1 (0.68) MEN1KMT2AMAPTALOX12GAA
Methyl Tryptaminedithiocarbamate SCHEMBL2791255 0.80 IDO1 (1.00) MEN1KMT2AMAPTALOX12GAA

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-20130289083-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION 2013-10-31 US 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
US-7576245-B2 Fluorous tagging and scavenging reactants and methods of synthesis and use thereof FLUOROUS TECHNOLOGIES INCORPORATED (US) 2009-08-18 US disclosed
US-7576245-B2 Fluorous tagging and scavenging reactants and methods of synthesis and use thereof FLUOROUS TECHNOLOGIES INCORPORATED (US) 2009-08-18 US 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 MEN1 2052/4885KMT2A 597/4885MAPT 2968/4885
US-20130289083-A1 IDO Inhibitors IDO1, IDO2, INMT MEN1 2267/4885KMT2A 660/4885MAPT 3083/4885

“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.