SCHEMBL160720

SCHEMBL160720

CCNC(=O)c1ccc2c(ccc3ccccc32)c1[O]

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
BRD4 O60885 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HPRT1 P00492 1/20 0.41
MEN1 O00255 4/20 0.41
KDM4A O75164 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
LMNA P02545 2/20 0.41
PLK1 P53350 1/20 0.41
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
HPGD P15428 2/20 0.40
ALDH1A1 P00352 1/20 0.40
WDR5 P61964 1/20 0.39
POLB P06746 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
SCHEMBL165580 0.92 KMT2A (0.49) KMT2ABRD4L3MBTL1MEN1KDM4A
SCHEMBL163761 0.89 EPHX1 (0.48) KMT2AL3MBTL1MEN1LMNAMAPT
SCHEMBL159506 0.86 TSHR (0.57) KMT2AL3MBTL1MEN1LMNAHTT
SCHEMBL161942 0.85 KMT2A (0.51) KMT2AMEN1LMNAMAPTKDM4E
SCHEMBL163046 0.83 PLK1 (0.60) BRD4HPRT1PLK1MAPTKDM4E
SCHEMBL163431 0.82 KMT2A (0.46) KMT2ABRD4L3MBTL1LMNAMAPT
SCHEMBL15204497 0.81 KMT2A (0.54) KMT2AL3MBTL1MEN1LMNAMAPT
SCHEMBL165470 0.81 EPHX1 (0.51) KMT2AL3MBTL1MEN1LMNAMAPT
SCHEMBL158637 0.79 KDM4E (0.46) KMT2AHPRT1MEN1KDM4ACTDSP1
SCHEMBL162226 0.79 NCEH1 (0.47) KMT2AHPRT1MEN1LMNAPLK1

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 KMT2A 2544/4885BRD4 3122/4885L3MBTL1 1654/4885

“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.