SCHEMBL1948414

SCHEMBL1948414

CC(C)(C)CCn1cncc1-c1ccccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 10/20 1.00
HSP90AA1 P07900 3/20 0.41
HSP90AB1 P08238 3/20 0.41
P2RX7 Q99572 1/20 0.38
HTR7 P34969 1/20 0.37
HTR6 P50406 1/20 0.37
CYP11B1 P15538 3/20 0.37
CYP11B2 P19099 3/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
LDLR P01130 1/20 0.35
HMGCR P04035 1/20 0.35
PCSK9 Q8NBP7 1/20 0.35
FYN P06241 1/20 0.35

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
SCHEMBL12544401 0.84 IDO1 (0.72) IDO1HSP90AA1HSP90AB1P2RX7HTR7
SCHEMBL1948762 0.82 IDO1 (0.69) IDO1HSP90AA1HSP90AB1P2RX7HTR7
SCHEMBL1950864 0.81 IDO1 (0.67) IDO1HSP90AA1HSP90AB1P2RX7HTR7
SCHEMBL1501923 0.80 IDO1 (0.67) IDO1HSP90AA1HSP90AB1P2RX7HTR7
SCHEMBL1950750 0.79 IDO1 (0.65) IDO1CYP11B1CYP11B2LDLRHMGCR
SCHEMBL27811006 0.77 IDO1 (0.63) IDO1HSP90AA1HSP90AB1P2RX7CYP11B1
SCHEMBL31326499 0.75 IDO1 (1.00) IDO1HSP90AA1HSP90AB1HTR7HTR6
SCHEMBL12604436 0.75 P2RX7 (0.65) IDO1HSP90AA1HSP90AB1P2RX7CYP11B1
SCHEMBL1502448 0.72 IDO1 (0.56) IDO1P2RX7KDM4EMEN1ALDH1A1
SCHEMBL1501988 0.68 IDO1 (0.63) IDO1HSP90AA1HSP90AB1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
CN-102083429-B Ido inhibitors NEWLINK GENETICS 2014-05-28 CN 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
WO-2009132238-A2 IDO INHIBITORS NEWLINK GENETICS (US) 2009-10-29 WO 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 1/4885HSP90AA1 3280/4885HSP90AB1 2617/4885
US-20110136796-A1 IDO Inhibitors IDO1, IDO2, INMT IDO1 1/4885HSP90AA1 3280/4885HSP90AB1 2617/4885

“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.