SCHEMBL871312

SCHEMBL871312

Cc1ccccc1-c1cnc[nH]1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 15/20 0.63
CYP3A4 P08684 1/20 0.53
ADRA2A P08913 2/20 0.51
ADRA2B P18089 2/20 0.51
ADRA2C P18825 1/20 0.51
ADRA1A P35348 1/20 0.51
HPGDS O60760 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44

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
SCHEMBL13517203 0.78 IDO1 (0.66) IDO1CYP3A4ADRA2AADRA2BHPGDS
SCHEMBL1948725 0.78 IDO1 (1.00) IDO1CYP3A4ADRA2AADRA2BHPGDS
SCHEMBL27490016 0.77 IDO1 (0.67) IDO1CYP3A4ADRA2ACYP11B1CYP11B2
SCHEMBL7505628 0.77 IDO1 (0.72) IDO1CYP3A4ADRA2A
SCHEMBL26259980 0.77 IDO1 (0.64) IDO1CYP3A4ADRA2AADRA2BHPGDS
SCHEMBL26259992 0.77 ADRA2A (0.66) IDO1CYP3A4ADRA2AADRA2B
SCHEMBL7503338 0.76 IDO1 (0.63) IDO1CYP3A4ADRA2AADRA2BADRA2C
SCHEMBL871588 0.76 IDO1 (0.63) IDO1CYP3A4ADRA2AADRA2B
SCHEMBL1951228 0.76 IDO1 (1.00) IDO1CYP3A4ADRA2AADRA2BHPGDS
SCHEMBL1902603 0.76 IDO1 (1.00) IDO1CYP3A4ADRA2AADRA2BHPGDS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10800780-B2 TDO2 Inhibitors GENENTECH, INC. (US) 2020-10-13 US disclosed
EP-3032625-B1 FUEL CELL SEPARATOR NISSHINBO CHEMICAL INC (JP) 2020-01-08 EP disclosed
US-10358451-B2 Heterocycles useful as IDO and TDO inhibitors HANGZHOU INNOGATE PHARMA CO., LTD. (CN) 2019-07-23 US disclosed
US-20190016726-A1 TDO2 Inhibitors PHARMARON BEIJING CO. LTD. (CN) 2019-01-17 US disclosed
WO-2019005559-A1 TDO2 AND IDO1 INHIBITORS GENENTECH, INC. (US) 2019-01-03 WO disclosed
US-20180127418-A1 HETEROCYCLES USEFUL AS IDO AND TDO INHIBITORS HANGZHOU INNOGATE PHARMA CO., LTD. (CN) 2018-05-10 US disclosed
EP-3264506-A1 METHOD FOR PRODUCING A FUEL CELL SEPARATOR Nisshinbo Chemical Inc. (JP) 2018-01-03 EP disclosed
WO-2017107979-A1 TDO2 INHIBITORS GENENTECH, INC. (US) 2017-06-29 WO 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
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
WO-2011056652-A1 IMIDAZOLE DERIVATIVES AS IDO INHIBITORS NEWLINK GENETICS (US) 2011-05-12 WO 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-7592456-B2 Arylsulfonylnaphthalene derivatives as 5HT2A antagonists MERCK SHARP & DOHME LIMITED (GB) 2009-09-22 US disclosed
US-20070281952-A1 Arylsulfonylnaphthalene Derivatives As 5Ht2a Antagonists MERCK SHARPE & DOHME LIMITED (GB) 2007-12-06 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 (6 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-20180127418-A1 HETEROCYCLES USEFUL AS IDO AND TDO INHIBITORS IDO1, IDO2, TDO2 IDO1 1/4885CYP3A4 119/4885ADRA2A 2355/4885
US-20190016726-A1 TDO2 Inhibitors TDO2, IDO2, IDO1 IDO1 3/4885CYP3A4 246/4885ADRA2A 1151/4885
US-10358451-B2 Heterocycles useful as IDO and TDO inhibitors IDO1, IDO2, TDO2 IDO1 1/4885CYP3A4 119/4885ADRA2A 2355/4885
US-20070281952-A1 Arylsulfonylnaphthalene Derivatives As 5Ht2a Antagonists HTR2A, HTR2C, HTR1A IDO1 187/4885CYP3A4 415/4885ADRA2A 23/4885
US-20110136796-A1 IDO Inhibitors IDO1, IDO2, INMT IDO1 1/4885CYP3A4 250/4885ADRA2A 906/4885
US-10800780-B2 TDO2 Inhibitors TDO2, IDO2, IDO1 IDO1 3/4885CYP3A4 246/4885ADRA2A 1151/4885

“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.