SCHEMBL1949751

SCHEMBL1949751

CC(C)(C)CCn1cncc1-c1ccccc1OCc1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.56
KDM4E B2RXH2 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
POLB P06746 1/20 0.47
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
PTGER1 P34995 2/20 0.40
CYP2C9 P11712 2/20 0.40
MAPT P10636 3/20 0.38
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
P2RX7 Q99572 1/20 0.38
KMT2A Q03164 3/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
BRD4 O60885 1/20 0.37
NPC1 O15118 1/20 0.36

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
SCHEMBL1502448 0.85 IDO1 (0.56) IDO1KDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL1950864 0.80 IDO1 (0.67) IDO1KDM4EALDH1A1LMNACYP11B1
SCHEMBL1501820 0.75 IDO1 (0.49) IDO1CYP11B1CYP11B2PTGER1CYP2C9
SCHEMBL12544401 0.73 IDO1 (0.72) IDO1ALDH1A1CYP11B1CYP11B2P2RX7
SCHEMBL1948414 0.72 IDO1 (1.00) IDO1KDM4EALDH1A1CYP11B1CYP11B2
SCHEMBL1502262 0.70 IDO1 (0.47) IDO1KDM4EALDH1A1CYP11B1CYP11B2
SCHEMBL1950750 0.69 IDO1 (0.65) IDO1CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL1502141 0.67 IDO1 (0.51) IDO1KDM4EALDH1A1PTGER1CYP2C9
SCHEMBL1901846 0.65 IDO1 (0.80) IDO1KDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL1948377 0.65 IDO1 (0.49) IDO1KDM4EALDH1A1LMNACYP11B1

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 IDO1 1/4885KDM4E 271/4885SMN1; SMN2 4704/4885
US-20110136796-A1 IDO Inhibitors IDO1, IDO2, INMT IDO1 1/4885KDM4E 271/4885SMN1; 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.