SCHEMBL1948609

SCHEMBL1948609

NCCCOc1ccccc1-c1c[nH]cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 2/20 0.44
TP53 P04637 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.41
IDO1 P14902 6/20 0.38
SSTR2 P30874 1/20 0.37
SSTR4 P31391 1/20 0.37
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
MAOB P27338 1/20 0.35
MELK Q14680 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PIM1 P11309 1/20 0.34

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
SCHEMBL12545674 0.92 TP53 (0.53) HTR1BTP53MAPK1RAB9ALMNA
SCHEMBL12676679 0.83 IDO1 (0.37) TP53MAPK1RAB9ALMNAIDO1
SCHEMBL13517884 0.83 IDO1 (0.37) TP53MAPK1RAB9ALMNAIDO1
Butylamine SCHEMBL8654778 0.82 TLR8 (0.47) RAB9ACYP19A1KMT2A
SCHEMBL1907686 0.81 IDO1 (0.57) RAB9ALMNAIDO1MAOBCYP19A1
SCHEMBL1951357 0.79 IDO1 (0.58) TP53MAPK1RAB9ALMNAIDO1
SCHEMBL13516990 0.79 IDO1 (0.43) MAPK1RAB9ALMNAIDO1MEN1
SCHEMBL1948838 0.79 IDO1 (0.58) TP53IDO1
SCHEMBL13517903 0.79 RAB9A (0.54) MAPK1RAB9ACYP1A2CYP2C19KMT2A
SCHEMBL1902070 0.79 IDO1 (0.46) RAB9ALMNAIDO1MAOBKMT2A

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 12 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-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 HTR1B 783/4885TP53 198/4885MAPK1 2450/4885
US-20110136796-A1 IDO Inhibitors IDO1, IDO2, INMT HTR1B 783/4885TP53 198/4885MAPK1 2450/4885

“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.