SCHEMBL470778

SCHEMBL470778

CCCc1cc2c(=O)c(-c3ccccn3)coc2cc1OC(C)=O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.78
RAB9A P51151 7/20 0.78
SMN1; SMN2 Q16637 7/20 0.78
TDP1 Q9NUW8 1/20 0.78
ADORA2A P29274 2/20 0.62
FPR1 P21462 10/20 0.53
ALDH1A1 P00352 3/20 0.51
KMT2A Q03164 3/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
KDM4E B2RXH2 2/20 0.48
TSHR P16473 2/20 0.48
HSD17B10 Q99714 2/20 0.48
HPGD P15428 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MAPT P10636 4/20 0.45
HTT P42858 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL29395943 1.00 NPC1 (0.78) NPC1RAB9ASMN1; SMN2TDP1ADORA2A
SCHEMBL12238010 0.87 NPC1 (0.77) NPC1RAB9ASMN1; SMN2TDP1ADORA2A
SCHEMBL2541804 0.83 RAB9A (0.74) NPC1RAB9ASMN1; SMN2TDP1ADORA2A
SCHEMBL2545819 0.82 SMN1; SMN2 (0.68) NPC1RAB9ASMN1; SMN2TDP1ADORA2A
SCHEMBL12238007 0.80 SMN1; SMN2 (0.86) NPC1RAB9ASMN1; SMN2TDP1ADORA2A
SCHEMBL12238006 0.80 MAPT (0.69) NPC1RAB9ASMN1; SMN2TDP1ALDH1A1
SCHEMBL12941628 0.79 ADORA2A (0.62) NPC1RAB9ASMN1; SMN2TDP1ADORA2A
SCHEMBL29527731 0.77 SMN1; SMN2 (0.73) NPC1RAB9ASMN1; SMN2TDP1ADORA2A
SCHEMBL12238033 0.74 SMN1; SMN2 (0.48) NPC1RAB9ASMN1; SMN2TDP1ADORA2A
SCHEMBL12238032 0.73 SMN1; SMN2 (0.71) NPC1RAB9ASMN1; SMN2TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2918273-B1 METHODS AND CELLS FOR IDENTIFYING RIG-I PATHWAY REGULATORS KINETA INC (US) 2016-12-21 EP disclosed
US-9458492-B2 Methods and cells for identifying RIG-I pathway regulators Kineta, Inc. (US) 2016-10-04 US disclosed
US-9458492-B2 Methods and cells for identifying RIG-I pathway regulators Kineta, Inc. (US) 2016-10-04 US disclosed
US-9408826-B2 Isoflavone anti-viral compounds Kineta, Inc. (US) 2016-08-09 US disclosed
US-9408826-B2 Isoflavone anti-viral compounds Kineta, Inc. (US) 2016-08-09 US disclosed
US-9408826-B2 Isoflavone anti-viral compounds Kineta, Inc. (US) 2016-08-09 US disclosed
WO-2016073947-A1 ANTI-VIRAL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF Kineta, Inc. (US) 2016-05-12 WO disclosed
US-20160122312-A1 ANTI-VIRAL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF Kineta, Inc. 2016-05-05 US disclosed
US-20160122312-A1 ANTI-VIRAL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF Kineta, Inc. 2016-05-05 US disclosed
EP-2560652-A2 ANTI-VIRAL COMPOUNDS Kineta, Inc. (US) 2013-02-27 EP disclosed
US-20130039887-A1 Methods of Identifying and Using Anti-Viral Compounds Kineta, Inc. (US) 2013-02-14 US disclosed
US-20130039887-A1 Methods of Identifying and Using Anti-Viral Compounds Kineta, Inc. (US) 2013-02-14 US disclosed
WO-2012154271-A2 METHOD AND CELLS FOR IDENTIFYING RIG-I PATHWAY REGULATORS Kineta, Inc. (US) 2012-11-15 WO disclosed
WO-2012003030-A9 METHODS OF IDENTIFYING & USING ANTI-VIRAL COMPOUNDS Kineta, Inc. (US) 2012-03-15 WO disclosed
WO-2012003030-A2 METHODS OF IDENTIFYING & USING ANTI-VIRAL COMPOUNDS Kineta, Inc. (US) 2012-01-05 WO disclosed
US-20110262482-A1 ANTI-VIRAL COMPOUNDS Kineta, Inc. (US) 2011-10-27 US disclosed
US-20110262482-A1 ANTI-VIRAL COMPOUNDS Kineta, Inc. (US) 2011-10-27 US disclosed
WO-2011133728-A2 ANTI-VIRAL COMPOUNDS Kineta, Inc. (US) 2011-10-27 WO disclosed
WO-2011133728-A2 ANTI-VIRAL COMPOUNDS Kineta, Inc. (US) 2011-10-27 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 (3 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-20110262482-A1 ANTI-VIRAL COMPOUNDS MAVS, EIF2AK2, IRF3 NPC1 1706/4885RAB9A 812/4885SMN1; SMN2 2632/4885
US-20130039887-A1 Methods of Identifying and Using Anti-Viral Compounds MAVS, EIF2AK2, DDX5 NPC1 1559/4885RAB9A 1624/4885SMN1; SMN2 1585/4885
US-20160122312-A1 ANTI-VIRAL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF MAVS, EIF2AK2, IRF3 NPC1 750/4885RAB9A 1595/4885SMN1; SMN2 1969/4885

“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.