SCHEMBL82878

SCHEMBL82878

COc1c(N2CC[C@@H](C3(N)CC3)C2)ccc2c(=O)c(C(=O)O)cn([C@@H]3C[C@H]3F)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 1.00
KCNH2 Q12809 8/20 0.58
KDM4E B2RXH2 5/20 0.40
HPGD P15428 4/20 0.40
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 2/20 0.40
POLB P06746 1/20 0.40
PRKD3 O94806 1/20 0.40
ALOX15 P16050 1/20 0.40
OPRM1 P35372 1/20 0.40
CLK2 P49760 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SCN5A Q14524 1/20 0.39
TOP1 P11387 2/20 0.38
LMNA P02545 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2C19 P33261 1/20 0.36
GSK3B P49841 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
SCHEMBL82879 1.00 CYP3A4 (1.00) CYP3A4KCNH2KDM4EHPGDALDH1A1
SCHEMBL29478146 1.00 CYP3A4 (1.00) CYP3A4KCNH2KDM4EHPGDALDH1A1
SCHEMBL2083007 0.97 CYP3A4 (0.94) CYP3A4KCNH2KDM4EHPGDALDH1A1
SCHEMBL2083006 0.97 CYP3A4 (0.94) CYP3A4KCNH2KDM4EHPGDALDH1A1
SCHEMBL2083093 0.90 CYP3A4 (0.82) CYP3A4KCNH2ALDH1A1POLBOPRM1
SCHEMBL2083095 0.90 CYP3A4 (0.82) CYP3A4KCNH2ALDH1A1POLBOPRM1
SCHEMBL2081913 0.90 CYP3A4 (0.81) CYP3A4KCNH2ALDH1A1POLBOPRM1
SCHEMBL2081915 0.90 CYP3A4 (0.81) CYP3A4KCNH2ALDH1A1POLBOPRM1
SCHEMBL2082207 0.89 CYP3A4 (0.79) CYP3A4KCNH2KDM4EHPGDALDH1A1
SCHEMBL2082211 0.89 CYP3A4 (0.79) CYP3A4KCNH2KDM4EHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129533-B2 Method for production of quinolone-containing lyophilized preparation DALICHI SANKYO COMPANY, LIMITED (JP) 2012-03-06 US claimed
US-20080300403-A1 Method for Production of Quinolone-Containing Lyophilized Preparation DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-12-04 US claimed
EP-1930006-A1 METHOD FOR PRODUCTION OF QUINOLONE-CONTAINING LYOPHILIZED PREPARATION Daiichi Sankyo Company, Limited (JP) 2008-06-11 EP claimed
EP-1336611-B1 DEHALOGENO COMPOUNDS DAIICHI SEIYAKU CO (JP) 2007-09-05 EP claimed
US-20070123560-A1 Dehalogeno-compounds DAIICHI PHARMACEUTICAL CO., LTD. 2007-05-31 US claimed
US-20040063754-A1 Dehalogeno compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-01 US claimed
EP-1336611-A1 DEHALOGENO COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-08-20 EP claimed
US-8129533-B2 Method for production of quinolone-containing lyophilized preparation DALICHI SANKYO COMPANY, LIMITED (JP) 2012-03-06 US disclosed
US-7902226-B2 Dehalogeno-compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-03-08 US disclosed
US-20090117205-A1 Quinolone-containing medicinal composition DAIICHI PHARMACEUTICAL CO., LTD (JP) 2009-05-07 US disclosed
US-20080300403-A1 Method for Production of Quinolone-Containing Lyophilized Preparation DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-12-04 US disclosed
EP-1930006-A1 METHOD FOR PRODUCTION OF QUINOLONE-CONTAINING LYOPHILIZED PREPARATION Daiichi Sankyo Company, Limited (JP) 2008-06-11 EP disclosed
EP-1336611-B1 DEHALOGENO COMPOUNDS DAIICHI SEIYAKU CO (JP) 2007-09-05 EP disclosed
US-20070123560-A1 Dehalogeno-compounds DAIICHI PHARMACEUTICAL CO., LTD. 2007-05-31 US disclosed
EP-1764102-A1 QUINOLONE-CONTAINING MEDICINAL COMPOSITION DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-21 EP disclosed
US-20040063754-A1 Dehalogeno compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-01 US disclosed
EP-1336611-A1 DEHALOGENO COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-08-20 EP 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 (4 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-20080300403-A1 Method for Production of Quinolone-Containing Lyophilized Preparation NQO2, TREH, CYP51A1 CYP3A4 314/4885KCNH2 2623/4885KDM4E 2681/4885
US-20040063754-A1 Dehalogeno compounds DEK, PGLS, RPS27L CYP3A4 198/4885KCNH2 1597/4885KDM4E 2484/4885
US-20090117205-A1 Quinolone-containing medicinal composition ABCB11, SLC47A1, AQP1 CYP3A4 211/4885KCNH2 541/4885KDM4E 3440/4885
US-20070123560-A1 Dehalogeno-compounds DEK, RPS27L, POLL CYP3A4 277/4885KCNH2 1059/4885KDM4E 2618/4885

“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.