SCHEMBL2794397

SCHEMBL2794397

CSC(=S)NCCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 1.00
RAB9A P51151 4/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
NPC1 O15118 3/20 0.63
MAOA P21397 1/20 0.59
MAOB P27338 1/20 0.59
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA9 Q16790 1/20 0.58
LMNA P02545 5/20 0.56
GAA P10253 2/20 0.56
TAAR1 Q96RJ0 1/20 0.56
MAPT P10636 4/20 0.54
ALDH1A1 P00352 4/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
MAPK1 P28482 2/20 0.54
ALOX12 P18054 2/20 0.54
HTT P42858 1/20 0.54

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
SCHEMBL10566671 0.89 IDO1 (0.81) IDO1RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL2930725 0.84 IDO1 (0.72) IDO1RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL1521069 0.82 IDO1 (0.70) IDO1RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL2932575 0.82 IDO1 (0.70) IDO1RAB9ASMN1; SMN2LMNAGAA
SCHEMBL2792097 0.82 IDO1 (0.70) IDO1RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL2794062 0.81 IDO1 (1.00) IDO1RAB9ASMN1; SMN2MAOAMAOB
SCHEMBL1520731 0.80 IDO1 (0.67) IDO1RAB9ASMN1; SMN2NPC1GAA
SCHEMBL2929102 0.80 IDO1 (0.67) IDO1SMN1; SMN2LMNATAAR1MAPT
SCHEMBL2930645 0.80 SMN1; SMN2 (0.73) IDO1RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL28355289 0.80 IDO1 (0.67) IDO1RAB9ASMN1; SMN2NPC1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100166881-A1 Novel IDO Inhibitors and Methods of Use Thereof PRENDERGAST GEORGE C 2010-07-01 US claimed
EP-1940787-A4 NOVEL IDO INHIBITORS AND METHODS OF USE THEREOF LANKENAU INST MEDICAL RES (US) 2009-07-01 EP claimed
EP-1940787-A1 NOVEL IDO INHIBITORS AND METHODS OF USE THEREOF Lankenau Institute for Medical Research (US) 2008-07-09 EP claimed
US-20070105907-A1 Novel IDO inhibitors and methods of use thereof LANKENAU INSTITUTE FOR MEDICAL RESEARCH 2007-05-10 US claimed
WO-2007050963-A1 NOVEL IDO INHIBITORS AND METHODS OF USE THEREOF LANKENAU INSTITUTE FOR MEDICAL RESEARCH (US) 2007-05-03 WO claimed
US-20100166881-A1 Novel IDO Inhibitors and Methods of Use Thereof PRENDERGAST GEORGE C 2010-07-01 US disclosed
US-7705022-B2 N-[2-(Indol-3-yl)ethyl]-S-methyl-dithiocarbamate; N-[2-(benzo[b]thiophen-3-yl)ethyl]-S-methyl-dithiocarbamate; N-[2-(indol-3-yl)ethyl]-S[(naphth-2-yl)methyl]-dithiocarbamate; anticarcinogenic agents; free of brassinin LANKENAU INSTITUTE FOR MEDICAL RESEARCH (US) 2010-04-27 US disclosed
EP-1940787-A4 NOVEL IDO INHIBITORS AND METHODS OF USE THEREOF LANKENAU INST MEDICAL RES (US) 2009-07-01 EP disclosed
EP-1940787-A1 NOVEL IDO INHIBITORS AND METHODS OF USE THEREOF Lankenau Institute for Medical Research (US) 2008-07-09 EP disclosed
US-20070105907-A1 Novel IDO inhibitors and methods of use thereof LANKENAU INSTITUTE FOR MEDICAL RESEARCH 2007-05-10 US disclosed
WO-2007050963-A1 NOVEL IDO INHIBITORS AND METHODS OF USE THEREOF LANKENAU INSTITUTE FOR MEDICAL RESEARCH (US) 2007-05-03 WO disclosed
EP-0656351-B1 Dithiocarbonimide derivatives as fungicides, insecticides, and acaricides SUMITOMO CHEMICAL CO (JP) 1998-04-15 EP disclosed
US-5563159-A Dithiocarbonimide derivatives useful as acaricidal, fungicidal, and insecticidal agents SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-10-08 US disclosed
EP-0656351-A1 Dithiocarbonimide derivatives as fungicides, insecticides, and acaricides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-06-07 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-20100166881-A1 Novel IDO Inhibitors and Methods of Use Thereof IDO1, IDO2, INMT IDO1 1/4885RAB9A 4439/4885SMN1; SMN2 4647/4885
US-20070105907-A1 Novel IDO inhibitors and methods of use thereof IDO1, IDO2, INMT IDO1 1/4885RAB9A 4439/4885SMN1; SMN2 4647/4885

“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.