SCHEMBL1947124

SCHEMBL1947124

CC(=O)NCCn1cncc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.50
CYP11B2 P19099 6/20 0.50
IDO1 P14902 2/20 0.50
MAPK1 P28482 1/20 0.48
MTNR1A P48039 5/20 0.44
MTNR1B P49286 4/20 0.43
APP P05067 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
HPGDS O60760 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL1950305 0.92 CYP11B1 (0.48) CYP11B1CYP11B2IDO1MTNR1AMTNR1B
SCHEMBL1950945 0.91 CYP11B1 (0.47) CYP11B1CYP11B2IDO1MTNR1AMTNR1B
SCHEMBL12545573 0.82 CYP11B1 (0.55) CYP11B1CYP11B2IDO1APPHPGDS
SCHEMBL1949387 0.82 CKS1B (0.47) CYP11B1CYP11B2IDO1APPCYP3A4
SCHEMBL7275842 0.78 MAPK1 (0.55) MAPK1MTNR1AMTNR1BL3MBTL1CYP3A4
SCHEMBL1951126 0.78 CYP11B1 (0.50) CYP11B1CYP11B2IDO1APPHPGDS
SCHEMBL27811038 0.76 MTNR1A (0.47) CYP11B1CYP11B2MAPK1MTNR1AMTNR1B
SCHEMBL1948648 0.76 CYP11B1 (0.48) CYP11B1CYP11B2IDO1APPHPGDS
SCHEMBL1951361 0.76 CYP11B1 (0.62) CYP11B1CYP11B2IDO1HPGDS
SCHEMBL1502091 0.76 CYP11B1 (0.62) CYP11B1CYP11B2IDO1HPGDSALDH1A1

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 8 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-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
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 CYP11B1 1122/4885CYP11B2 1149/4885IDO1 1/4885
US-20110136796-A1 IDO Inhibitors IDO1, IDO2, INMT CYP11B1 1122/4885CYP11B2 1149/4885IDO1 1/4885

“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.