SCHEMBL163294

SCHEMBL163294

NC(=O)c1nccc(O)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PARP1 P09874 1/20 0.36
P2RX7 Q99572 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
ROCK1 Q13464 1/20 0.34
KDM4B O94953 1/20 0.34
KDM5C P41229 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
MAP4K4 O95819 1/20 0.34
KMO O15229 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
TSHR P16473 1/20 0.33
MC4R P32245 1/20 0.33
ADRA1A P35348 1/20 0.33
MC3R P41968 1/20 0.33
LCK P06239 1/20 0.33
CDC7 O00311 1/20 0.33
DBF4 Q9UBU7 1/20 0.33

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
SCHEMBL163540 0.80 KMO (0.50) KDM4EKDM5CKDM5BKMOKDM5A
Ammonia Solution, Strong SCHEMBL31345935 0.78 KMO (0.49) KDM4EKDM5CKDM5BKMOKDM5A
SCHEMBL163293 0.78 MKNK1 (0.38) KDM4EL3MBTL1PARP1P2RX7MKNK1
SCHEMBL30521607 0.78 ADORA3 (0.42) KDM4EPARP1P2RX7MKNK1MKNK2
SCHEMBL669901 0.78 MKNK1 (0.42) PARP1P2RX7MKNK1MKNK2ROCK1
SCHEMBL3906535 0.78 ADORA3 (0.42) KDM4EPARP1P2RX7MKNK1MKNK2
SCHEMBL2924227 0.78 LMNA (0.33) F7F3
SCHEMBL20837334 0.78 P2RX7 (0.59) KDM4EL3MBTL1P2RX7ADORA3KMT2A
SCHEMBL2465653 0.77 KMT2A (0.50) L3MBTL1PARP1MAP4K4KMT2ASIRT3
SCHEMBL2801014 0.77 PARP1 (0.35) KDM4EL3MBTL1PARP1P2RX7MKNK1

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-9856210-B2 Pharmaceutical composition for prevention and treatment of amyotrophic lateral sclerosis KYOTO UNIVERSITY (JP) 2018-01-02 US disclosed
EP-2611437-B1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS UNIV KYOTO (JP) 2017-03-29 EP disclosed
EP-2640709-A2 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF Acetylon Pharmaceuticals, Inc. (US) 2013-09-25 EP disclosed
US-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2013-08-29 US disclosed
EP-2611437-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS Kyoto University (JP) 2013-07-10 EP disclosed
WO-2012068109-A3 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF ACETYLON PHARMACEUTICALS (US) 2012-08-02 WO disclosed
WO-2012068109-A2 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF ACETYLON PHARMACEUTICALS (US) 2012-05-24 WO disclosed
WO-2012029994-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2012-03-08 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-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS SMN1; SMN2, SOD1, SOD3 KDM4E 2214/4885L3MBTL1 1654/4885PARP1 1397/4885

“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.