SCHEMBL3093554

SCHEMBL3093554

NC(=O)c1ccc(NC(=O)c2ccncc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.79
KDM4E B2RXH2 2/20 0.72
L3MBTL1 Q9Y468 1/20 0.72
MAPK1 P28482 3/20 0.67
HTT P42858 1/20 0.66
POLB P06746 3/20 0.64
MAPT P10636 2/20 0.64
KMT2A Q03164 4/20 0.62
NT5E P21589 1/20 0.62
JAK2 O60674 1/20 0.61
TYK2 P29597 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.58
STAT3 P40763 1/20 0.58
LMNA P02545 2/20 0.58
ROCK2 O75116 2/20 0.58
ROCK1 Q13464 2/20 0.58
ALDH1A1 P00352 1/20 0.58
TP53 P04637 1/20 0.58
BCAT2 O15382 1/20 0.57
MEN1 O00255 1/20 0.56

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
SCHEMBL28829404 0.95 KDM4E (0.81) GAAKDM4EL3MBTL1MAPK1HTT
SCHEMBL27880186 0.90 POLB (0.73) GAAKDM4EL3MBTL1MAPK1HTT
SCHEMBL19242053 0.89 GAA (1.00) GAAKDM4EL3MBTL1MAPK1HTT
SCHEMBL13210699 0.89 KMT2A (0.73) GAAKDM4EL3MBTL1POLBMAPT
SCHEMBL8770686 0.85 GAA (0.85) GAAKDM4EL3MBTL1MAPK1HTT
SCHEMBL14716526 0.85 KDM4E (1.00) GAAKDM4EL3MBTL1MAPK1HTT
SCHEMBL1898755 0.85 GAA (0.91) GAAKDM4EL3MBTL1MAPK1HTT
SCHEMBL6990840 0.84 GAA (0.81) GAAKDM4EL3MBTL1MAPK1HTT
SCHEMBL3462289 0.84 MDM2 (0.70) GAAKDM4EL3MBTL1POLBMAPT
SCHEMBL3093559 0.84 GAA (0.81) GAAKDM4EL3MBTL1MAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2010-09-16 US claimed
EP-2150532-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE Evotec AG (DE) 2010-02-10 EP claimed
WO-2008122787-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2008-10-16 WO claimed
US-10350225-B1 Small molecule inhibitors of influenza A RNA-dependent RNA polymerase NANT HOLDINGS IP, LLC (US) 2019-07-16 US disclosed
US-9315464-B1 Small molecule inhibitors of influenza A RNA-dependent RNA polymerase NANT HOLDINGS IP, LLC (US) 2016-04-19 US disclosed
US-9315464-B1 Small molecule inhibitors of influenza A RNA-dependent RNA polymerase NANT HOLDINGS IP, LLC (US) 2016-04-19 US disclosed
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2010-09-16 US disclosed
EP-2150532-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE Evotec AG (DE) 2010-02-10 EP disclosed
WO-2008122787-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2008-10-16 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-10350225-B1 Small molecule inhibitors of influenza A RNA-dependent RNA polymerase RNGTT, MED23, MED25 GAA 1669/4885KDM4E 1204/4885L3MBTL1 318/4885
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE HPGDS, PTGDR, PTGIS GAA 1250/4885KDM4E 3580/4885L3MBTL1 4594/4885

“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.