SCHEMBL1948725

SCHEMBL1948725

Oc1ccccc1-c1cnc[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 17/20 1.00
CYP3A4 P08684 1/20 0.55
ADRA2A P08913 1/20 0.49
ADRA2B P18089 1/20 0.49
HPGDS O60760 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 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
SCHEMBL29453067 0.79 IDO1 (0.65) IDO1CYP3A4CYP11B1CYP11B2
SCHEMBL13517203 0.79 IDO1 (0.66) IDO1CYP3A4ADRA2AADRA2BHPGDS
SCHEMBL1950648 0.79 IDO1 (1.00) IDO1CYP3A4ADRA2AADRA2B
SCHEMBL26259992 0.78 ADRA2A (0.66) IDO1CYP3A4ADRA2AADRA2B
SCHEMBL26259980 0.78 IDO1 (0.64) IDO1CYP3A4ADRA2AADRA2BHPGDS
SCHEMBL1902603 0.78 IDO1 (1.00) IDO1CYP3A4ADRA2AADRA2BHPGDS
SCHEMBL7503338 0.78 IDO1 (0.63) IDO1CYP3A4ADRA2AADRA2BHPGDS
SCHEMBL871312 0.78 IDO1 (0.63) IDO1CYP3A4ADRA2AADRA2BHPGDS
SCHEMBL1951228 0.78 IDO1 (1.00) IDO1CYP3A4ADRA2AADRA2BHPGDS
SCHEMBL30538054 0.78 IDO1 (0.63) 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 13 patents. 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
US-9174942-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2015-11-03 US disclosed
US-9174942-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2015-11-03 US disclosed
US-8900722-B2 OLED device employing alkali metal cluster compounds GLOBAL OLED TECHNOLOGY LLC (US) 2014-12-02 US disclosed
US-20140323740-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION (US) 2014-10-30 US disclosed
US-8748469-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2014-06-10 US disclosed
US-8748469-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2014-06-10 US disclosed
US-20110136796-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-06-09 US disclosed
US-20110136796-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-06-09 US disclosed
WO-2009132238-A2 IDO INHIBITORS NEWLINK GENETICS (US) 2009-10-29 WO disclosed
US-20090142618-A1 OLED DEVICE EMPLOYING ALKALI METAL CLUSTER COMPOUNDS GLOBAL OLED TECHNOLOGY LLC 2009-06-04 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 (3 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-20090142618-A1 OLED DEVICE EMPLOYING ALKALI METAL CLUSTER COMPOUNDS OCIAD2, OCIAD1, OSTC IDO1 1164/4885CYP3A4 3133/4885ADRA2A 3178/4885
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.