SCHEMBL165741

SCHEMBL165741

COC(=O)c1nccc([O])n1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
KDM6B O15054 1/20 0.41
KDM5C P41229 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
KDM2A Q9Y2K7 1/20 0.41
KDM3A Q9Y4C1 1/20 0.41
ALDH1A1 P00352 6/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PSMD14 O00487 1/20 0.40
ALOX15 P16050 2/20 0.39
HTT P42858 1/20 0.39
ROCK1 Q13464 1/20 0.39
MAPK1 P28482 2/20 0.38
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.36
JMJD6 Q6NYC1 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL7077382 0.81 KMT2A (0.43) KDM4EL3MBTL1KDM6BKDM5CKDM4C
SCHEMBL163712 0.80 CA12 (0.41) KDM4EL3MBTL1ALDH1A1NPSR1KMT2A
SCHEMBL163702 0.80 CYP1A2 (0.47) KDM4EALDH1A1NPSR1KMT2ATSHR
SCHEMBL165564 0.80 ATR (0.38) ALDH1A1ALOX15KMT2AGAA
SCHEMBL23795448 0.79 ATR (0.42) KDM4EL3MBTL1KDM6BKDM5CKDM4C
SCHEMBL3714129 0.79 ROCK1 (0.44) KDM4EL3MBTL1KDM6BKDM5CKDM4C
SCHEMBL31344571 0.79 ALDH1A1 (0.47) KDM4EL3MBTL1KDM6BKDM5CKDM4C
SCHEMBL2762628 0.79 KDM4E (0.40) KDM4EL3MBTL1KDM6BKDM5CKDM4C
SCHEMBL351032 0.79 KDM4E (0.40) KDM4EL3MBTL1KDM6BKDM5CKDM4C
SCHEMBL19222562 0.78 ROCK1 (0.43) KDM4EL3MBTL1KDM6BKDM5CKDM4C

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 KDM4E 2214/4885L3MBTL1 1654/4885KDM6B 1524/4885

“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.