SCHEMBL1950476

SCHEMBL1950476

CCOC(=O)CCCn1cncc1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
GAA P10253 1/20 0.51
TNF P01375 4/20 0.49
TBXAS1 P24557 4/20 0.49
FAAH O00519 4/20 0.47
IDO1 P14902 2/20 0.46
CYP11B1 P15538 2/20 0.46
CYP11B2 P19099 2/20 0.46
MEN1 O00255 1/20 0.45
GLA P06280 1/20 0.45
KMT2A Q03164 1/20 0.45
CNR1 P21554 1/20 0.43

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
SCHEMBL1501907 0.92 ALDH1A1 (0.54) ALDH1A1RAB9ASMN1; SMN2GAATBXAS1
SCHEMBL27831350 0.84 ALDH1A1 (0.70) ALDH1A1RAB9ASMN1; SMN2GAAIDO1
SCHEMBL1948189 0.81 CYP11B1 (0.53) TBXAS1IDO1CYP11B1CYP11B2
SCHEMBL1948648 0.80 CYP11B1 (0.48) ALDH1A1TBXAS1FAAHIDO1CYP11B1
SCHEMBL12545573 0.78 CYP11B1 (0.55) ALDH1A1RAB9ASMN1; SMN2IDO1CYP11B1
SCHEMBL593796 0.78 CYP11B1 (0.58) ALDH1A1RAB9AIDO1CYP11B1CYP11B2
SCHEMBL18366013 0.78 TNF (0.51) ALDH1A1TNFTBXAS1
SCHEMBL27482241 0.76 TBXAS1 (0.50) TNFTBXAS1
SCHEMBL5857799 0.76 ESR1 (0.63) ALDH1A1GAATNFFAAHCNR1
SCHEMBL1502091 0.75 CYP11B1 (0.62) ALDH1A1IDO1CYP11B1CYP11B2

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-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
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 ALDH1A1 983/4885RAB9A 3530/4885SMN1; SMN2 4704/4885
US-20110136796-A1 IDO Inhibitors IDO1, IDO2, INMT ALDH1A1 983/4885RAB9A 3530/4885SMN1; SMN2 4704/4885

“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.