SCHEMBL871586

SCHEMBL871586

Cc1cccc(-c2cnc[nH]2)c1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 9/20 0.64
CYP3A4 P08684 2/20 0.60
CYP2E1 P05181 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2A6 P11509 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2B6 P20813 1/20 0.55
CYP2C19 P33261 1/20 0.55
CYP11B1 P15538 1/20 0.54
CYP11B2 P19099 1/20 0.54
SCN9A Q15858 1/20 0.51
METAP2 P50579 1/20 0.50
HPGDS O60760 1/20 0.50
NPY5R Q15761 1/20 0.49
ASIC3 Q9UHC3 2/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPK14 Q16539 1/20 0.46

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
SCHEMBL28750838 0.80 ASIC3 (0.53) IDO1CYP3A4CYP2E1CYP2D6CYP2A6
SCHEMBL21128574 0.79 IDO1 (0.74) IDO1CYP3A4CYP2E1CYP2D6CYP2A6
SCHEMBL872414 0.78 IDO1 (1.00) IDO1CYP3A4CYP2E1CYP2D6CYP2A6
SCHEMBL872416 0.78 IDO1 (1.00) IDO1CYP3A4CYP2E1CYP2D6CYP2A6
SCHEMBL25214286 0.78 IDO1 (0.64) IDO1CYP3A4CYP2E1CYP2D6CYP2A6
SCHEMBL25262025 0.78 IDO1 (0.64) IDO1CYP3A4CYP2E1CYP2D6CYP2A6
SCHEMBL1949479 0.78 IDO1 (1.00) IDO1CYP3A4CYP2E1CYP2D6CYP2A6
SCHEMBL1502406 0.78 IDO1 (0.64) IDO1CYP3A4CYP2E1CYP2D6CYP2A6
SCHEMBL871045 0.77 IDO1 (0.58) IDO1CYP3A4CYP2E1CYP2D6CYP2A6
SCHEMBL14340642 0.77 IDO1 (0.58) IDO1CYP3A4CYP2E1CYP2D6CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109890805-B Substituted azole derivatives for the production, proliferation and differentiation of hematopoietic stem and progenitor cells 新加坡国立大学 2023-04-04 CN disclosed
WO-2023022497-A1 SOS1 INHIBITOR AND USE THEREOF 주식회사 카나프테라퓨틱스 2023-02-23 WO disclosed
EP-3032625-B1 FUEL CELL SEPARATOR NISSHINBO CHEMICAL INC (JP) 2020-01-08 EP disclosed
CN-107614497-A novel corrosion inhibitor 艺康美国股份有限公司 2018-01-19 CN 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
US-9174942-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2015-11-03 US disclosed
EP-2763223-A1 POROUS SEPARATOR FOR FUEL CELLS Nisshinbo Chemical Inc. (JP) 2014-08-06 EP disclosed
US-8748469-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2014-06-10 US disclosed
CN-102083429-B Ido inhibitors NEWLINK GENETICS 2014-05-28 CN disclosed
US-8372192-B2 Fuel cell separator NISSHINBO CHEMICAL INC. (JP) 2013-02-12 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

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

For each of this compound's patents that has machine-readable text (1 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-20110136796-A1 IDO Inhibitors IDO1, IDO2, INMT IDO1 1/4885CYP3A4 250/4885CYP2E1 234/4885

“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.