SCHEMBL2794675

SCHEMBL2794675

CSC(=S)NC1Cc2ccccc2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 3/20 1.00
▸ GRM7 Q14831 4/20 0.45
▸ MTNR1A P48039 3/20 0.44
▸ MTNR1B P49286 3/20 0.44
▸ MAPT P10636 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ HRH3 Q9Y5N1 2/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ FABP5 Q01469 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ CA2 P00918 1/20 0.39

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
SCHEMBL173391 0.76 IDO1 (0.61) IDO1GRM7MTNR1AMTNR1BMAPT
SCHEMBL3428492 0.75 IDO1 (0.59) IDO1GRM7MTNR1AMTNR1BMAPT
SCHEMBL31141646 0.72 IDO1 (0.56) IDO1GRM7MTNR1AMTNR1BMAPT
SCHEMBL6153717 0.72 IDO1 (0.56) IDO1GRM7MTNR1AMTNR1BMAPT
SCHEMBL173810 0.71 IDO1 (0.56) IDO1GRM7MTNR1AMTNR1BMAPT
SCHEMBL30595323 0.71 MTNR1A (0.77) IDO1GRM7MTNR1AMTNR1BMAPT
SCHEMBL1029693 0.71 MTNR1A (0.77) IDO1GRM7MTNR1AMTNR1BMAPT
SCHEMBL19101077 0.71 IDO1 (0.53) IDO1MAPTNPC1LMNARAB9A
SCHEMBL6950748 0.71 — —
SCHEMBL9851524 0.68 GRM7 (0.59) IDO1GRM7MTNR1AMTNR1BMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20120142750-A1 INDOLEAMINE 2,3-DIOXYGENASE PATHWAYS IN THE GENERATION OF REGULATORY T CELLS REGENTS OF THE UNIVERSITY OF MINNESOTA 2012-06-07 — — US disclosed
US-20120142750-A1 INDOLEAMINE 2,3-DIOXYGENASE PATHWAYS IN THE GENERATION OF REGULATORY T CELLS REGENTS OF THE UNIVERSITY OF MINNESOTA 2012-06-07 — — US disclosed
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
US-20090155311-A1 INDOLEAMINE 2,3-DIOXYGENASE PATHWAYS IN THE GENERATION OF REGULATORY T CELLS MED. COLLEGE OF GEORGIA RESEARCH INSTITUTE, INC. (US) 2009-06-18 — — US disclosed
US-20090155311-A1 INDOLEAMINE 2,3-DIOXYGENASE PATHWAYS IN THE GENERATION OF REGULATORY T CELLS MED. COLLEGE OF GEORGIA RESEARCH INSTITUTE, INC. (US) 2009-06-18 — — US disclosed
EP-1940787-A1 NOVEL IDO INHIBITORS AND METHODS OF USE THEREOF Lankenau Institute for Medical Research (US) 2008-07-09 — — EP disclosed
WO-2007081878-A2 INDOLEAMINE 2,3-DIOXYGENASE PATHWAYS IN THE GENERATION OF REGULATORY T CELLS MEDICAL COLLEGE OF GEORGIA RESEARCH INSTITUTE, INC. (US) 2007-07-19 — — WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20090155311-A1 INDOLEAMINE 2,3-DIOXYGENASE PATHWAYS IN THE GENERATION OF REGULATORY T CELLS IDO2, IDO1, INMT IDO1 2/4885GRM7 2537/4885MTNR1A 47/4885
US-20100166881-A1 Novel IDO Inhibitors and Methods of Use Thereof IDO1, IDO2, INMT IDO1 1/4885GRM7 1854/4885MTNR1A 278/4885
US-20070105907-A1 Novel IDO inhibitors and methods of use thereof IDO1, IDO2, INMT IDO1 1/4885GRM7 1854/4885MTNR1A 278/4885
US-20120142750-A1 INDOLEAMINE 2,3-DIOXYGENASE PATHWAYS IN THE GENERATION OF REGULATORY T CELLS IDO2, IDO1, INMT IDO1 2/4885GRM7 2537/4885MTNR1A 47/4885

“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.

Send feedback