SCHEMBL163583

SCHEMBL163583

COC(=O)c1cc([O])[nH]n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.67
RAB9A P51151 3/20 0.51
POLB P06746 2/20 0.51
NPC1 O15118 2/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HCAR2 Q8TDS4 2/20 0.41
GAA P10253 1/20 0.40
ALPL P05186 3/20 0.39
MAPT P10636 3/20 0.39
CSNK2A2 P19784 1/20 0.39
KDR P35968 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
CYP1A2 P05177 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM4E B2RXH2 1/20 0.39
STAT3 P40763 1/20 0.39
HIF1A Q16665 1/20 0.39

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
SCHEMBL162738 0.81 MAPK1 (0.44) MAPK1RAB9APOLBNPC1MEN1
SCHEMBL68056 0.80 MAPK1 (1.00) MAPK1RAB9APOLBNPC1MEN1
SCHEMBL4490261 0.80 MAPK1 (0.67) MAPK1RAB9APOLBNPC1MEN1
SCHEMBL3624738 0.80 MAPK1 (0.67) MAPK1RAB9APOLBNPC1MEN1
SCHEMBL166665 0.79 MAPK1 (0.43) MAPK1RAB9APOLBNPC1MEN1
SCHEMBL163302 0.79 KMT2A (0.54) MAPK1POLBKMT2AL3MBTL1MAPT
SCHEMBL30991269 0.79 MAPK1 (0.61) MAPK1RAB9APOLBNPC1MEN1
SCHEMBL23013382 0.78 MAPK1 (0.65) MAPK1RAB9APOLBNPC1MEN1
SCHEMBL20517900 0.78 MAPK1 (0.65) MAPK1RAB9APOLBNPC1MEN1
SCHEMBL1009738 0.78 MAPK1 (0.65) MAPK1RAB9APOLBNPC1MEN1

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 5 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
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-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 MAPK1 2988/4885RAB9A 3460/4885POLB 690/4885

“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.