SCHEMBL4729919

SCHEMBL4729919

NC1=CC(=O)c2cccnc2C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PADI1 Q9ULC6 4/20 1.00
PADI3 Q9ULW8 4/20 1.00
PADI4 Q9UM07 4/20 1.00
PADI2 Q9Y2J8 4/20 1.00
TGM2 P21980 1/20 1.00
S100A4 P26447 7/20 0.74
NSD2 O96028 4/20 0.69
TDP2 O95551 3/20 0.69
PAX8 Q06710 3/20 0.69
MEN1 O00255 1/20 0.59
THRB P10828 1/20 0.59
BLM P54132 1/20 0.59
KMT2A Q03164 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
ABL1 P00519 1/20 0.53
PLCG1 P19174 1/20 0.53
CES1 P23141 1/20 0.53
RIN1 Q13671 1/20 0.53
GAA P10253 1/20 0.53
CDC25B P30305 3/20 0.53

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
SCHEMBL2599216 0.85 S100A4 (1.00) PADI1PADI3PADI4PADI2TGM2
SCHEMBL459004 0.81 NSD2 (1.00) PADI1PADI3PADI4PADI2TGM2
SCHEMBL12760676 0.78 PADI1 (0.64) PADI1PADI3PADI4PADI2TGM2
SCHEMBL21801777 0.78 PADI1 (0.64) PADI1PADI3PADI4PADI2TGM2
SCHEMBL29548274 0.78 S100A4 (0.65) PADI1PADI3PADI4PADI2TGM2
SCHEMBL10507042 0.78 S100A4 (0.65) PADI1PADI3PADI4PADI2TGM2
SCHEMBL15552423 0.78 PADI1 (0.64) PADI1PADI3PADI4PADI2TGM2
SCHEMBL5915065 0.75 TDP2 (0.81) PADI1PADI3PADI4PADI2TGM2
Phanquone SCHEMBL7633567 0.75 MEN1 (1.00) PADI1PADI3PADI4PADI2TGM2
Phanquone SCHEMBL30956643 0.75 MEN1 (1.00) PADI1PADI3PADI4PADI2TGM2

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-20170128483-A1 HOST DEPENDENCY FACTORS AS TARGETS FOR ANTIVIRAL THERAPY RUPRECHT-KARLS-UNIVERSITAT HEIDELBERG (DE) 2017-05-11 US disclosed
US-9522908-B2 Ezrin inhibitors and methods of making and using Gerogetown University (US) 2016-12-20 US disclosed
WO-2015144688-A1 HOST DEPENDENCY FACTORS AS TARGETS FOR ANTIVIRAL THERAPY Ruprecht-Karls-Universität Heidelberg (DE) 2015-10-01 WO disclosed
US-20140135325-A1 NOVEL EZRIN INHIBITORS AND METHODS OF MAKING AND USING GEORGETOWN UNIVERSITY (US) 2014-05-15 US disclosed
WO-2012064396-A9 NOVEL EZRIN INHIBITORS AND METHODS OF MAKING AND USING GEORGETOWN UNIVERSITY (US) 2012-07-05 WO disclosed
WO-2012064396-A2 NOVEL EZRIN INHIBITORS AND METHODS OF MAKING AND USING GEORGETOWN UNIVERSITY (US) 2012-05-18 WO disclosed
CN-101685733-A High-temperature thermal fuse device THERM O DISC INC 2010-03-31 CN disclosed
WO-2008063662-A2 GOLD (III) CHLORIDE COMPOSITIONS FOR CANCER BLACK LION PHARMACEUTICALS (US) 2008-05-29 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 (1 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-20140135325-A1 NOVEL EZRIN INHIBITORS AND METHODS OF MAKING AND USING EZR, NHERF1, ERMP1 PADI1 1715/4885PADI3 2023/4885PADI4 2045/4885

“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.