SCHEMBL1948643

SCHEMBL1948643

N#Cc1ccccc1COc1ccccc1-c1c[nH]cn1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.48
KMT2A Q03164 1/20 0.43
SGMS2 Q8NHU3 2/20 0.42
FFAR1 O14842 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 3/20 0.39
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
MAOB P27338 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL1950526 0.81 LMNA (0.52) KMT2ASGMS2ALDH1A1KDM4E
SCHEMBL1948730 0.81 SGMS2 (0.49) KMT2ASGMS2
SCHEMBL1949033 0.81 MAOB (0.46) KMT2ANPC1RAB9AALDH1A1MAOB
SCHEMBL1261440 0.80 ESR2 (0.41) ALDH1A1
SCHEMBL1950683 0.78 MRGPRX4 (0.48) SGMS2FFAR1
SCHEMBL1948178 0.77 BRD4 (0.56) KMT2ASGMS2
SCHEMBL13517522 0.74 IDO1 (0.48) KMT2AALDH1A1
SCHEMBL12676451 0.74 KMT2A (0.55) KMT2ANPC1RAB9AALDH1A1KDM4E
SCHEMBL12676652 0.74 SYK (0.55)
SCHEMBL1949264 0.73 BRD4 (0.48) KMT2AALDH1A1MAOB

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748469-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2014-06-10 US claimed
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 PLAU 4109/4885KMT2A 520/4885SGMS2 3436/4885
US-20110136796-A1 IDO Inhibitors IDO1, IDO2, INMT PLAU 4109/4885KMT2A 520/4885SGMS2 3436/4885

“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.