SCHEMBL1948856

SCHEMBL1948856

c1ccc(COc2ccccc2-c2cnc[nH]2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 16/20 1.00
ADRA1A P35348 2/20 0.57
ADRA1D P25100 1/20 0.57
ADRA1B P35368 1/20 0.57
BRD4 O60885 1/20 0.48
CYP3A4 P08684 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
SCHEMBL1906991 0.91 IDO1 (0.84) IDO1ADRA1AADRA1DADRA1B
SCHEMBL1901846 0.89 IDO1 (0.80) IDO1ADRA1AADRA1DADRA1BCYP3A4
SCHEMBL1947047 0.85 IDO1 (1.00) IDO1ADRA1AADRA1DADRA1B
SCHEMBL1951440 0.85 IDO1 (0.74) IDO1ADRA1AADRA1DADRA1B
SCHEMBL1904983 0.85 IDO1 (0.74) IDO1ADRA1A
SCHEMBL1908396 0.84 IDO1 (1.00) IDO1ADRA1AADRA1DADRA1B
SCHEMBL1907186 0.84 IDO1 (0.71) IDO1ADRA1AADRA1DADRA1B
SCHEMBL1906363 0.84 IDO1 (0.71) IDO1ADRA1AADRA1DADRA1B
SCHEMBL1950613 0.81 IDO1 (0.67) IDO1ADRA1AADRA1DADRA1BBRD4
SCHEMBL1906625 0.81 IDO1 (0.68) IDO1ADRA1AADRA1DADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-9174942-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2015-11-03 US disclosed
US-20140323740-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION (US) 2014-10-30 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-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
US-20110136796-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-06-09 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 1/4885ADRA1A 1016/4885ADRA1D 1243/4885
US-20110136796-A1 IDO Inhibitors IDO1, IDO2, INMT IDO1 1/4885ADRA1A 1016/4885ADRA1D 1243/4885

“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.