SCHEMBL1948596

SCHEMBL1948596

CC(C)(CCOc1ccccc1-c1cnc[nH]1)CCn1ccnc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 12/20 0.64
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TBXAS1 P24557 1/20 0.44
MAPK1 P28482 2/20 0.44
LMNA P02545 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 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
SCHEMBL12544143 0.79 IDO1 (0.69) IDO1
SCHEMBL1948711 0.79 IDO1 (1.00) IDO1
SCHEMBL1950286 0.76 IDO1 (0.65) IDO1
SCHEMBL1950665 0.76 IDO1 (0.64) IDO1
SCHEMBL1950430 0.75 IDO1 (0.73) IDO1ALDH1A1MAPK1ALOX15HSD17B10
SCHEMBL1951082 0.74 IDO1 (0.65) IDO1ALDH1A1GAAHTTTDP1
SCHEMBL1950424 0.74 IDO1 (1.00) IDO1HTTLMNA
SCHEMBL12545643 0.71 IDO1 (0.75) IDO1
SCHEMBL1502436 0.70 IDO1 (0.70) IDO1MAPK1
SCHEMBL1902633 0.69 IDO1 (0.63) IDO1ALDH1A1NPSR1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748469-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2014-06-10 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-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

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 1/4885MEN1 2262/4885KMT2A 520/4885
US-20110136796-A1 IDO Inhibitors IDO1, IDO2, INMT IDO1 1/4885MEN1 2262/4885KMT2A 520/4885

“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.