SCHEMBL1108169

SCHEMBL1108169

Cc1ccc2nc3c4ccccc4c(=O)cc-3oc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.66
RAB9A P51151 3/20 0.66
POLB P06746 2/20 0.66
MEN1 O00255 1/20 0.66
KMT2A Q03164 1/20 0.66
TNKS O95271 1/20 0.50
PARP1 P09874 1/20 0.50
MAOB P27338 1/20 0.50
TNKS2 Q9H2K2 1/20 0.50
PARP2 Q9UGN5 1/20 0.50
KDM4E B2RXH2 6/20 0.49
ALDH1A1 P00352 5/20 0.49
HSD17B10 Q99714 4/20 0.49
TP53 P04637 3/20 0.49
HPGD P15428 3/20 0.49
MAPT P10636 3/20 0.49
CYP3A4 P08684 3/20 0.49
PTPRA P18433 1/20 0.48
PTPRB P23467 1/20 0.48
GABRP O00591 1/20 0.46

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
SCHEMBL2609273 0.84 MEN1 (0.62) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL3275224 0.83 KMT2A (0.62) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL1108126 0.83 RAB9A (0.62) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL14347198 0.83 RAB9A (0.62) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL8858355 0.83 NPC1 (0.76) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL15385443 0.80 RAB9A (0.65) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL18709101 0.80 POLB (0.65) NPC1RAB9APOLBMEN1KMT2A
Nile Red SCHEMBL29373685 0.80 MEN1 (1.00) NPC1RAB9APOLBMEN1KMT2A
Nile Red SCHEMBL49047 0.80 MEN1 (1.00) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL31722939 0.79 NPC1 (0.74) NPC1RAB9APOLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9410080-B2 Polymer-based organic electroluminescent device COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2016-08-09 US disclosed
US-8937303-B2 Organic electroluminescent device COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2015-01-20 US disclosed
US-8772048-B2 Fluorogenic compounds converted to fluorophores by photochemical or chemical means and their use in biological systems KENT STATE UNIVERSITY (US) 2014-07-08 US disclosed
US-8772048-B2 Fluorogenic compounds converted to fluorophores by photochemical or chemical means and their use in biological systems KENT STATE UNIVERSITY (US) 2014-07-08 US disclosed
US-20130264554-A1 ORGANIC ELECTROLUMINESCENT DEVICE COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2013-10-10 US disclosed
US-20130112957-A1 POLYMER-BASED ORGANIC ELECTROLUMINESCENT DEVICE COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH OR (AU) 2013-05-09 US disclosed
US-20120261650-A1 ORGANIC ELECTROLUMINESCENT DEVICE COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2012-10-18 US disclosed
US-20120190098-A1 FLUOROGENIC COMPOUNDS CONVERTED TO FLUOROPHORES BY PHOTOCHEMICAL OR CHEMICAL MEANS AND THEIR USE IN BIOLOGICAL SYSTEMS LELAND STANFORD JUNIOR UNIVERSITY (US) 2012-07-26 US disclosed
US-20120091884-A1 HEPTAAZAPHENALENE DERIVATIVES AND USE THEREOF IN ORGANIC ELECTROLUMINESCENT DEVICE COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AT) 2012-04-19 US disclosed
US-8153446-B2 Fluorogenic compounds converted to fluorophores by photochemical or chemical means and their use in biological systems KENT STATE UNIVERSITY (US) 2012-04-10 US disclosed
US-8153446-B2 Fluorogenic compounds converted to fluorophores by photochemical or chemical means and their use in biological systems KENT STATE UNIVERSITY (US) 2012-04-10 US disclosed
US-20100029952-A1 Fluorogenic compounds converted to fluorophores by photochemical or chemical means and their use in biological systems KENT STATE UNIVERSITY (US) 2010-02-04 US disclosed
US-20100029952-A1 Fluorogenic compounds converted to fluorophores by photochemical or chemical means and their use in biological systems KENT STATE UNIVERSITY (US) 2010-02-04 US 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 (4 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-20120190098-A1 FLUOROGENIC COMPOUNDS CONVERTED TO FLUOROPHORES BY PHOTOCHEMICAL OR CHEMICAL MEANS AND THEIR USE IN BIOLOGICAL SYSTEMS MPI, ACR, PFAS NPC1 3105/4885RAB9A 2362/4885POLB 595/4885
US-20120091884-A1 HEPTAAZAPHENALENE DERIVATIVES AND USE THEREOF IN ORGANIC ELECTROLUMINESCENT DEVICE HSD17B2, CYP1A2, HSD17B1 NPC1 3789/4885RAB9A 2062/4885POLB 3679/4885
US-20100029952-A1 Fluorogenic compounds converted to fluorophores by photochemical or chemical means and their use in biological systems MPI, ACR, PFAS NPC1 3105/4885RAB9A 2362/4885POLB 595/4885
US-20120261650-A1 ORGANIC ELECTROLUMINESCENT DEVICE EBPL, PAICS, CCNL2 NPC1 4836/4885RAB9A 2931/4885POLB 750/4885

“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.