SCHEMBL163046

SCHEMBL163046

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 2/20 0.60
ALDH1A1 P00352 4/20 0.51
HPGD P15428 2/20 0.51
HIF1A Q16665 1/20 0.51
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MTNR1A P48039 1/20 0.46
HPRT1 P00492 2/20 0.45
SOS1 Q07889 1/20 0.44
MAPT P10636 1/20 0.42
GAA P10253 2/20 0.42
WDR5 P61964 1/20 0.42
BRD4 O60885 1/20 0.42
LDHA P00338 1/20 0.41
MMP3 P08254 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
PGR P06401 1/20 0.41
PTGS1 P23219 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL164091 0.92 PLK1 (0.66) PLK1ALDH1A1HPGDHIF1AKDM4E
SCHEMBL162226 0.83 NCEH1 (0.47) PLK1ALDH1A1HPGDKDM4EHPRT1
SCHEMBL158637 0.83 KDM4E (0.46) PLK1ALDH1A1HPGDKDM4EHPRT1
SCHEMBL160720 0.83 KMT2A (0.46) PLK1ALDH1A1HPGDKDM4EHPRT1
SCHEMBL163761 0.81 EPHX1 (0.48) ALDH1A1HPGDKDM4EMAPTGAA
SCHEMBL164215 0.81 MAPT (0.49) ALDH1A1HPGDKDM4EHPRT1MAPT
SCHEMBL162966 0.81 PLK1 (0.51) PLK1ALDH1A1HPGDHIF1AKDM4E
SCHEMBL161942 0.80 KMT2A (0.51) ALDH1A1HPGDKDM4EMAPTGAA
SCHEMBL160289 0.80 WDR5 (0.61) ALDH1A1HPGDKDM4EHPRT1SOS1
SCHEMBL15204497 0.79 KMT2A (0.54) ALDH1A1HPGDKDM4ERAB9AMAPT

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 4 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
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 PLK1 1381/4885ALDH1A1 1667/4885HPGD 2718/4885

“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.