SCHEMBL871858

SCHEMBL871858

Clc1ccccc1-c1cnc[nH]1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 18/20 0.71
CYP3A4 P08684 1/20 0.53
ADRA2A P08913 2/20 0.51
ADRA2B P18089 1/20 0.47

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
SCHEMBL12676754 0.83 IDO1 (1.00) IDO1CYP3A4ADRA2AADRA2B
SCHEMBL7024617 0.80 IDO1 (0.52) IDO1CYP3A4ADRA2AADRA2B
SCHEMBL1948725 0.78 IDO1 (1.00) IDO1CYP3A4ADRA2AADRA2B
SCHEMBL13517203 0.78 IDO1 (0.66) IDO1CYP3A4ADRA2AADRA2B
SCHEMBL26259980 0.77 IDO1 (0.64) IDO1CYP3A4ADRA2AADRA2B
SCHEMBL26259992 0.77 ADRA2A (0.66) IDO1CYP3A4ADRA2AADRA2B
SCHEMBL871312 0.76 IDO1 (0.63) IDO1CYP3A4ADRA2AADRA2B
SCHEMBL7503338 0.76 IDO1 (0.63) IDO1CYP3A4ADRA2AADRA2B
SCHEMBL1902603 0.76 IDO1 (1.00) IDO1CYP3A4ADRA2AADRA2B
SCHEMBL1951228 0.76 IDO1 (1.00) IDO1CYP3A4ADRA2AADRA2B

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9174942-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2015-11-03 US claimed
US-20140323740-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION (US) 2014-10-30 US claimed
US-20110136796-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-06-09 US claimed
CN-102083429-A Ido inhibitors NEWLINK GENETICS 2011-06-01 CN claimed
EP-2291187-A2 IDO INHIBITORS Newlink Genetics (US) 2011-03-09 EP claimed
WO-2009132238-A2 IDO INHIBITORS NEWLINK GENETICS (US) 2009-10-29 WO claimed
US-3997552-A HERBICIDE BAYER AKTIENGESELLSCHAFT (DT) 1976-12-14 US claimed
EP-3032625-B1 FUEL CELL SEPARATOR NISSHINBO CHEMICAL INC (JP) 2020-01-08 EP disclosed
EP-3264506-A1 METHOD FOR PRODUCING A FUEL CELL SEPARATOR Nisshinbo Chemical Inc. (JP) 2018-01-03 EP disclosed
EP-2458667-B1 FUEL CELL SEPARATOR NISSHINBO CHEMICAL INC (JP) 2017-05-24 EP disclosed
EP-2763223-B1 POROUS SEPARATOR FOR FUEL CELLS NISSHINBO CHEMICAL INC (JP) 2016-11-16 EP disclosed
EP-3032625-A1 FUEL CELL SEPARATOR Nisshinbo Chemical Inc. (JP) 2016-06-15 EP disclosed
US-20160156044-A1 FUEL CELL SEPARATOR NISSHINBO CHEMICAL INC. (JP) 2016-06-02 US disclosed
EP-2458667-A1 FUEL CELL SEPARATOR Nisshinbo Chemical Inc. (JP) 2012-05-30 EP disclosed
US-20120077111-A1 FUEL CELL SEPARATOR NISSHINBO CHEMICAL INC. (JP) 2012-03-29 US disclosed
US-20110136796-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-06-09 US disclosed
CN-102083429-A Ido inhibitors NEWLINK GENETICS 2011-06-01 CN disclosed
EP-2291187-A2 IDO INHIBITORS Newlink Genetics (US) 2011-03-09 EP disclosed
WO-2009132238-A2 IDO INHIBITORS NEWLINK GENETICS (US) 2009-10-29 WO disclosed
US-3997552-A HERBICIDE BAYER AKTIENGESELLSCHAFT (DT) 1976-12-14 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-20140323740-A1 IDO Inhibitors IDO1, IDO2, INMT IDO1 1/4885CYP3A4 250/4885ADRA2A 906/4885
US-20110136796-A1 IDO Inhibitors IDO1, IDO2, INMT IDO1 1/4885CYP3A4 250/4885ADRA2A 906/4885

“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.