SCHEMBL16200833

SCHEMBL16200833

O=C(COc1ccccc1-c1cnc[nH]1)Cc1ccccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 17/20 0.52
▸ PRMT5 O14744 1/20 0.42
▸ WDR77 Q9BQA1 1/20 0.42
▸ KMT2A Q03164 1/20 0.39
▸ ADRA1D P25100 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ ADRA1B P35368 1/20 0.38

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
SCHEMBL1950453 0.78 NPC1 (0.59) IDO1PRMT5WDR77KMT2A
SCHEMBL1904700 0.73 IDO1 (0.56) IDO1PRMT5WDR77
SCHEMBL1907852 0.73 IDO1 (0.56) IDO1PRMT5WDR77
SCHEMBL871858 0.73 IDO1 (0.71) IDO1
SCHEMBL1950468 0.72 IDO1 (0.55) IDO1PRMT5WDR77KMT2A
SCHEMBL1901345 0.71 HPGD (0.57) IDO1PRMT5WDR77
SCHEMBL1901846 0.70 IDO1 (0.80) IDO1KMT2AADRA1DADRA1AADRA1B
SCHEMBL1907044 0.70 IDO1 (0.52) IDO1PRMT5WDR77
SCHEMBL1948583 0.70 IDO1 (0.55) IDO1PRMT5WDR77
SCHEMBL1902856 0.70 IDO1 (0.52) IDO1PRMT5WDR77ADRA1DADRA1A

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 4 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-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-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 1/4885PRMT5 29/4885WDR77 1215/4885
US-20110136796-A1 IDO Inhibitors IDO1, IDO2, INMT IDO1 1/4885PRMT5 29/4885WDR77 1215/4885

“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.

Send feedback