SCHEMBL2434674

SCHEMBL2434674

CCCOc1ccc(OC)c2c(=O)c(-c3cc(OC)ccc3OC)c[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
BRDT Q58F21 1/20 0.39
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
PDE4A P27815 3/20 0.37
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
HTT P42858 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4D Q08499 2/20 0.35
HSD17B10 Q99714 1/20 0.35
TSHR P16473 2/20 0.35
LMNA P02545 2/20 0.35
TDP2 O95551 1/20 0.35

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
SCHEMBL2429157 0.92 SIK1 (0.39) BRDTMTNR1AMTNR1BPDE4ACDK4
SCHEMBL1136189 0.91 MAOB (0.37) HDAC4HDAC2HDAC8BRDTMTNR1A
SCHEMBL2433158 0.88 ALDH1A1 (0.39) SMN1; SMN2KDM4EHSD17B10LMNAMAPT
SCHEMBL2432838 0.85 HTR7 (0.42) PDE4AHTTSMN1; SMN2KDM4EPDE4B
SCHEMBL2434710 0.85 KDM4E (0.44) HDAC4HDAC2HDAC8CNR1CNR2
SCHEMBL2430551 0.84 BRDT (0.39) BRDTMTNR1AMTNR1BKDM4EPDE4B
SCHEMBL1136104 0.83 PDE4D (0.37) BRDTMTNR1AMTNR1BKDM4EPDE4D
SCHEMBL1135964 0.82 MAOB (0.39) BRDTMTNR1AMTNR1BCDK4CCND1
SCHEMBL2434676 0.81 MAPT (0.37) PDE4ASMN1; SMN2PDE4BTSHRLMNA
SCHEMBL1136159 0.80 MAOB (0.36) BRDTMTNR1AMTNR1BCDK4CCND1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2364706-B1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2015-07-29 EP disclosed
EP-2364706-B1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2015-07-29 EP disclosed
US-20130217678-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-08-22 US disclosed
US-20130217678-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-08-22 US disclosed
US-20130217678-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-08-22 US disclosed
US-20110251180-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-10-13 US disclosed
US-20110251180-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-10-13 US disclosed
US-20110251180-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-10-13 US disclosed
EP-2364706-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND Otsuka Pharmaceutical Co., Ltd. (JP) 2011-09-14 EP disclosed
EP-2364706-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND Otsuka Pharmaceutical Co., Ltd. (JP) 2011-09-14 EP disclosed
WO-2010064701-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND 大塚製薬株式会社 (JP) 2010-06-10 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 (2 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-20110251180-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND PARK7, SNCA, LRRK2 HDAC4 1413/4885HDAC2 1140/4885HDAC8 2700/4885
US-20130217678-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND PARK7, SNCA, LRRK2 HDAC4 1413/4885HDAC2 1140/4885HDAC8 2700/4885

“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.