Sugi Predict

Sugi Predict / Compounds / SCHEMBL2226707

SCHEMBL2226707

SCHEMBL2226707

COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c1N(C1CC1)C(C(=O)O)C(=O)C2=O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.57
▸ ALDH1A1 P00352 3/20 0.57
▸ HPGD P15428 3/20 0.57
▸ HSD17B10 Q99714 2/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ KCNH2 Q12809 3/20 0.37
▸ POLB P06746 1/20 0.37
▸ PRKD3 O94806 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ CLK2 P49760 1/20 0.37
▸ CLK4 Q9HAZ1 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ HRH4 Q9H3N8 2/20 0.32
▸ HTR3A P46098 1/20 0.30
▸ LMNA P02545 1/20 0.30

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
SCHEMBL8741038 1.00 KDM4E (0.57) KDM4EALDH1A1HPGDHSD17B10MEN1
Hydrochloric Acid SCHEMBL5945948 0.99 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10MEN1
Hydrochloric Acid SCHEMBL7615094 0.98 KDM4E (0.57) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL19807107 0.82 KDM4E (0.57) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL29388103 0.82 KDM4E (0.57) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL9846541 0.80 KDM4E (0.36) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL9846461 0.80 KDM4E (0.36) KDM4EALDH1A1HPGDHSD17B10MEN1
Hydrochloric Acid SCHEMBL9846578 0.80 KDM4E (0.36) KDM4EALDH1A1HPGDHSD17B10MEN1
Hydrochloric Acid SCHEMBL9846570 0.80 KDM4E (0.36) KDM4EALDH1A1HPGDHSD17B10MEN1
Hydrochloric Acid SCHEMBL9846543 0.80 KDM4E (0.36) KDM4EALDH1A1HPGDHSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070213536-A1 Process for the enantiomeric enrichment of cis-8-benzyl-7,9-dioxo-2,8-diazabicyclo[4.3.0]nonane LANXESS DEUTSCHLAND GMBH (DE) 2007-09-13 — — US claimed
US-20040044205-A1 Process for the enantiomeric enrichment of cis-8-benzyl-7,9-dioxo-2,8-diazabicyclo[4.3.0]nonane LANXESS DEUTSCHLAND GMBH (DE) 2004-03-04 — — US claimed
EP-1017392-B1 MEDICAMENT FORMULATION WITH A CONTROLLED RELEASE OF AN ACTIVE AGENT BAYER AG (DE) 2002-07-17 — — EP claimed
US-6270799-B1 1-CYCLOPROPYL-7-((S,S)-2,8-DIAZABICYCLO(4.3.0)NON-8-YL)-6-FLUO RO-1, 4-DIHYDRO-8-METHOXY-4-OXO-3-QUINO-LONECARBOXYLIC ACID AND/OR PHARMACEUTICALLY TOLERABLE SALTS BAYER AKTIENGESELLSCAHFT (DE) 2001-08-07 — — US claimed
EP-2976063-A1 PARENTERAL FORMULATION OF FLUOROQUINOLONE ANTIBACTERIAL AGENT AND METHOD FOR PREPARATION THEREOF Pharmathen S.A. (GR) 2016-01-27 — — EP disclosed
WO-2014139677-A1 PARENTERAL FORMULATION OF FLUOROQUINOLONE ANTIBACTERIAL AGENT AND METHOD FOR PREPARATION THEREOF PHARMATHEN S.A. (GR) 2014-09-18 — — WO disclosed
WO-2011086577-A2 PHARMACEUTICAL COMPOSITION OF MOXIFLOXACIN AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS MSN LABORATORIES LIMITED (IN) 2011-07-21 — — WO disclosed
JP-2010163455-A MEDICAMENT PREPARATION WITH CONTROLLED RELEASE OF ACTIVE AGENT BAYER SCHERING PHARMA AG 2010-07-29 — — JP disclosed
US-7709644-B2 Process for the enantiomeric enrichment of cis-8-benzyl-7,9-dioxo-2,8-diazabicyclo[4.3.0]nonane LANXESS DEUTSCHLAND GMBH (DE) 2010-05-04 — — US disclosed
US-20070213536-A1 Process for the enantiomeric enrichment of cis-8-benzyl-7,9-dioxo-2,8-diazabicyclo[4.3.0]nonane LANXESS DEUTSCHLAND GMBH (DE) 2007-09-13 — — US disclosed
WO-2005123137-A2 LYOPHILIZED PHARMACEUTICAL COMPOSITION COMPRISING MOXIFLOXACIN HYDROCHLORIDE RANBAXY LABORATORIES LIMITED (IN) 2005-12-29 — — WO disclosed
US-6916484-B1 Aqueous pharmaceutical composition containing moxifloxacin or salts thereof BAYER AKTIENGESELLSCHAFT (DE) 2005-07-12 — — US disclosed
US-20040044205-A1 Process for the enantiomeric enrichment of cis-8-benzyl-7,9-dioxo-2,8-diazabicyclo[4.3.0]nonane LANXESS DEUTSCHLAND GMBH (DE) 2004-03-04 — — US disclosed
US-6610327-B1 Oral administration which comprises moxifloxacin, its salt and/or hydrate and lactose, to a process for its preparation, and to the use of this preparation for controlling bacterial infections in humans and animals. BAYER AKTIENGESELLSCHAFT (DE) 2003-08-26 — — US disclosed
US-6548079-B1 Bactericides BAYER AKTIENGESELLSCHAFT (DE) 2003-04-15 — — US disclosed
US-6270799-B1 1-CYCLOPROPYL-7-((S,S)-2,8-DIAZABICYCLO(4.3.0)NON-8-YL)-6-FLUO RO-1, 4-DIHYDRO-8-METHOXY-4-OXO-3-QUINO-LONECARBOXYLIC ACID AND/OR PHARMACEUTICALLY TOLERABLE SALTS BAYER AKTIENGESELLSCAHFT (DE) 2001-08-07 — — US 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-20040044205-A1 Process for the enantiomeric enrichment of cis-8-benzyl-7,9-dioxo-2,8-diazabicyclo[4.3.0]nonane CYP1B1, DECR1, SPIN2B KDM4E 128/4885ALDH1A1 1350/4885HPGD 2595/4885
US-20070213536-A1 Process for the enantiomeric enrichment of cis-8-benzyl-7,9-dioxo-2,8-diazabicyclo[4.3.0]nonane CYP1B1, CYP8B1, CCR8 KDM4E 144/4885ALDH1A1 1022/4885HPGD 3495/4885

“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.