SCHEMBL1502448

SCHEMBL1502448

CC(C)(C)CCn1cncc1-c1ccccc1OCc1ccccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.56
LMNA P02545 3/20 0.43
TSHR P16473 1/20 0.43
P2RX7 Q99572 1/20 0.40
HPGD P15428 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MCL1 Q07820 1/20 0.38
SGMS2 Q8NHU3 2/20 0.36
SLC16A3 O15427 1/20 0.36
SLC16A1 P53985 1/20 0.36
SGMS1 Q86VZ5 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
BDKRB2 P30411 1/20 0.35
FABP4 P15090 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
SCHEMBL1949751 0.85 IDO1 (0.56) IDO1LMNAP2RX7HPGDALDH1A1
SCHEMBL1950864 0.80 IDO1 (0.67) IDO1LMNAP2RX7HPGDALDH1A1
SCHEMBL12544401 0.73 IDO1 (0.72) IDO1P2RX7ALDH1A1MEN1KMT2A
SCHEMBL1948414 0.72 IDO1 (1.00) IDO1P2RX7HPGDALDH1A1MAPT
SCHEMBL1502262 0.70 IDO1 (0.47) IDO1P2RX7ALDH1A1KDM4EHTR1A
SCHEMBL1950750 0.69 IDO1 (0.65) IDO1
SCHEMBL1501820 0.68 IDO1 (0.49) IDO1P2RX7MAPTTDP1HTR1A
SCHEMBL1948377 0.65 IDO1 (0.49) IDO1LMNAP2RX7HPGDALDH1A1
SCHEMBL1950526 0.64 LMNA (0.52) IDO1LMNATSHRHPGDALDH1A1
SCHEMBL15358323 0.63 CYP11B1 (0.46) IDO1P2RX7

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 6 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
EP-2291187-A2 IDO INHIBITORS Newlink Genetics (US) 2011-03-09 EP 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 1/4885LMNA 4867/4885TSHR 2445/4885
US-20110136796-A1 IDO Inhibitors IDO1, IDO2, INMT IDO1 1/4885LMNA 4867/4885TSHR 2445/4885

“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.