SCHEMBL5553754

SCHEMBL5553754

COC(=O)c1ccc2nc[c]cc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.60
ALOX15 P16050 1/20 0.60
KDM4E B2RXH2 6/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
PIK3CG P48736 1/20 0.44
PI4KB Q9UBF8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
XDH P47989 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
LCK P06239 1/20 0.43
PTPN11 Q06124 1/20 0.42
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
SCHEMBL16289641 0.88 HTT (0.49) HTTALOX15KDM4EALDH1A1LMNA
SCHEMBL27563329 0.84 ALOX15 (0.43) HTTALOX15KDM4EALDH1A1LMNA
SCHEMBL28351499 0.78 ALOX15 (0.48) HTTALOX15KDM4EALDH1A1L3MBTL1
SCHEMBL10466162 0.78 HTT (0.67) HTTALOX15KDM4EALDH1A1LMNA
SCHEMBL30718649 0.75 ALOX15 (1.00) HTTALOX15ALDH1A1LMNASMN1; SMN2
SCHEMBL265015 0.75 ALOX15 (1.00) HTTALOX15ALDH1A1LMNASMN1; SMN2
SCHEMBL14692057 0.74 HTT (0.61) HTTALOX15KDM4EALDH1A1LMNA
SCHEMBL13597529 0.74 HTT (0.61) HTTALOX15KDM4EALDH1A1LMNA
SCHEMBL31435495 0.74 HTT (0.61) HTTALOX15KDM4EALDH1A1LMNA
SCHEMBL27928930 0.74 ALOX15 (0.97) HTTALOX15ALDH1A1LMNASMN1; SMN2

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39591-E1 6-O-substituted ketolides having antibacterial activity ABBOTT LABORATORIES (US) 2007-04-24 US claimed
CN-1273475-C 6-0-substituted ketolides with antibacterial activity ABBOTT CO (US) 2006-09-06 CN claimed
EP-0929563-B1 6-O-SUBSTITUTED KETOLIDES HAVING ANTIBACTERIAL ACTIVITY ABBOTT LAB (US) 2005-06-01 EP claimed
CN-1237183-A 6-0-substituted ketolides with antibacterial activity ABBOTT CO (US) 1999-12-01 CN claimed
EP-0929563-A1 6-O-SUBSTITUTED KETOLIDES HAVING ANTIBACTERIAL ACTIVITY Abbott Laboratories (US) 1999-07-21 EP claimed
US-5866549-A MACROLIDE ANTIBIOTICS ABBOTT LABORATORIES (US) 1999-02-02 US claimed
WO-1998009978-A1 6-O-SUBSTITUTED KETOLIDES HAVING ANTIBACTERIAL ACTIVITY ABBOTT LABORATORIES (US) 1998-03-12 WO claimed
EP-2952096-B1 Amide compound, an arthropod pest control agent and a method for controlling arthropod pest SUMITOMO CHEMICAL CO (JP) 2018-04-04 EP disclosed
US-9814235-B2 Method for controlling arthropod pest SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-14 US disclosed
CN-104955332-B The method of preventing and treating arthropod insect 住友化学株式会社 2017-03-29 CN disclosed
EP-2952096-A1 METHOD FOR CONTROLLING ARTHROPOD PEST Sumitomo Chemical Company, Limited (JP) 2015-12-09 EP disclosed
US-20150344466-A1 METHOD FOR CONTROLLING ARTHROPOD PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-12-03 US disclosed
CN-104955332-A Method for controlling arthropod pest SUMITOMO CHEMICAL CO 2015-09-30 CN disclosed
US-6147197-A INCREASED ACID STABILITY AND ENHANCED ACTIVITY TOWARD GRAM NEGATIVE BACTERIA AND MACROLIDE RESISTANT GRAM POSITIVE BACTERIA ABBVIE INC. 2000-11-14 US disclosed
US-6075133-A INCREASED ACID STABILITY AND ENHANCED BACTERICIDAL ACTIVITY ABBOTT LABORATORIES (US) 2000-06-13 US disclosed
US-6028181-A 6-0-Substituted antibacterial erythromycin ketolides and methods of making ABBOTT LABORATORIES (US) 2000-02-22 US disclosed
CN-1237183-A 6-0-substituted ketolides with antibacterial activity ABBOTT CO (US) 1999-12-01 CN disclosed
EP-0929563-A1 6-O-SUBSTITUTED KETOLIDES HAVING ANTIBACTERIAL ACTIVITY Abbott Laboratories (US) 1999-07-21 EP disclosed
US-5866549-A MACROLIDE ANTIBIOTICS ABBOTT LABORATORIES (US) 1999-02-02 US disclosed
WO-1998009978-A1 6-O-SUBSTITUTED KETOLIDES HAVING ANTIBACTERIAL ACTIVITY ABBOTT LABORATORIES (US) 1998-03-12 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-20150344466-A1 METHOD FOR CONTROLLING ARTHROPOD PEST H1-0, H1-3, H1-2 HTT 1442/4885ALOX15 2577/4885KDM4E 1006/4885

“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.