SCHEMBL5009641

SCHEMBL5009641

COc1c(N2CCN(C(=O)OCCl)C(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.74
ALDH1A1 P00352 5/20 0.74
HPGD P15428 4/20 0.74
LMNA P02545 2/20 0.74
L3MBTL1 Q9Y468 1/20 0.70
TDP1 Q9NUW8 3/20 0.69
POLB P06746 3/20 0.69
NPSR1 Q6W5P4 1/20 0.69
CYP2C19 P33261 1/20 0.68
ATM Q13315 1/20 0.67
KCNH2 Q12809 3/20 0.67
HSD17B10 Q99714 2/20 0.67
OPRM1 P35372 2/20 0.67
PRKD3 O94806 1/20 0.67
ALOX15 P16050 1/20 0.67
CLK2 P49760 1/20 0.67
CLK4 Q9HAZ1 1/20 0.67
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
CHRM2 P08172 1/20 0.51

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
SCHEMBL16010552 0.91 KDM4E (0.72) KDM4EALDH1A1HPGDLMNAL3MBTL1
SCHEMBL5011390 0.89 KDM4E (0.74) KDM4EALDH1A1HPGDLMNAL3MBTL1
SCHEMBL30564254 0.89 KDM4E (0.81) KDM4EALDH1A1HPGDLMNAL3MBTL1
SCHEMBL5003903 0.88 KDM4E (0.75) KDM4EALDH1A1HPGDLMNAL3MBTL1
SCHEMBL16017856 0.87 KDM4E (0.61) KDM4EALDH1A1HPGDLMNAL3MBTL1
SCHEMBL16009851 0.87 KDM4E (0.71) KDM4EALDH1A1HPGDLMNAL3MBTL1
SCHEMBL14010355 0.86 KDM4E (0.66) KDM4EALDH1A1HPGDLMNAL3MBTL1
SCHEMBL14010476 0.86 KDM4E (0.65) KDM4EALDH1A1HPGDLMNAL3MBTL1
SCHEMBL29351326 0.85 KDM4E (0.75) KDM4EALDH1A1HPGDLMNAL3MBTL1
SCHEMBL6832069 0.85 KDM4E (0.75) KDM4EALDH1A1HPGDLMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9402912-B2 Antibiotic conjugates directly linked with steroid drugs ALLERGAN, INC. (US) 2016-08-02 US disclosed
US-9402912-B2 Antibiotic conjugates directly linked with steroid drugs ALLERGAN, INC. (US) 2016-08-02 US disclosed
WO-2014138359-A1 STEROID ANTIBIOTIC CONJUGATES ALLERGAN, INC. (US) 2014-09-12 WO disclosed
WO-2014138403-A1 ANTIBIOTIC CONJUGATES ALLERGAN, INC. (US) 2014-09-12 WO disclosed
WO-2014138375-A1 ANTIBIOTIC CONJUGATES LINKED WITH STEROID DRUGS ALLERGAN, INC. (US) 2014-09-12 WO disclosed
WO-2014138343-A1 ANTIBIOTIC CONJUGATES WITH NONSTEROIDAL ANTI-INFLAMMATORY DRUGS ALLERGAN, INC. (US) 2014-09-12 WO disclosed
WO-2014138350-A1 ANTIBIOTIC CONJUGATES DIRECTLY LINKED WITH STEROID DRUGS ALLERGAN, INC. (US) 2014-09-12 WO disclosed
US-20140256694-A1 STEROID ANTIBIOTIC CONJUGATES ALLERGAN, INC. (US) 2014-09-11 US disclosed
US-20140256694-A1 STEROID ANTIBIOTIC CONJUGATES ALLERGAN, INC. (US) 2014-09-11 US disclosed
US-20140256612-A1 ANTIBIOTIC CONJUGATES DIRECTLY LINKED WITH STEROID DRUGS ALLERGAN, INC. (US) 2014-09-11 US disclosed
US-20140256612-A1 ANTIBIOTIC CONJUGATES DIRECTLY LINKED WITH STEROID DRUGS ALLERGAN, INC. (US) 2014-09-11 US disclosed
US-20140256666-A1 ANTIBIOTIC CONJUGATES WITH NONSTEROIDAL ANTI-INFLAMMATORY DRUGS ALLERGAN, INC. (US) 2014-09-11 US disclosed
US-20140256658-A1 Antibiotic Conjugates ALLERGAN, INC. (US) 2014-09-11 US disclosed
US-20140256658-A1 Antibiotic Conjugates ALLERGAN, INC. (US) 2014-09-11 US disclosed
US-20080287396-A1 Phosphonated Fluoroquinolones, Antibacterial Analogs Thereof, and Methods for the Prevention and Treatment of Bone and Joint Infections TARGANTA THERAPEUTICA INC. (CA) 2008-11-20 US disclosed
US-20080287396-A1 Phosphonated Fluoroquinolones, Antibacterial Analogs Thereof, and Methods for the Prevention and Treatment of Bone and Joint Infections TARGANTA THERAPEUTICA INC. (CA) 2008-11-20 US disclosed
US-20080287396-A1 Phosphonated Fluoroquinolones, Antibacterial Analogs Thereof, and Methods for the Prevention and Treatment of Bone and Joint Infections TARGANTA THERAPEUTICA INC. (CA) 2008-11-20 US disclosed
EP-1881974-A2 PHOSPHONATED FLUOROQUINOLONES, ANTIBACTERIAL ANALOGS THEREOF, AND METHODS FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS Targanta Therapeutics Inc. (CA) 2008-01-30 EP disclosed
WO-2007017762-A2 PHOSPHONATED FLUOROQUINOLONES, ANTIBACTERIAL ANALOGS THEREOF, AND METHODS FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS TARGANTA THERAPEUTICS INC. (CA) 2007-02-15 WO disclosed
WO-2007017762-A2 PHOSPHONATED FLUOROQUINOLONES, ANTIBACTERIAL ANALOGS THEREOF, AND METHODS FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS TARGANTA THERAPEUTICS INC. (CA) 2007-02-15 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 (5 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-20140256666-A1 ANTIBIOTIC CONJUGATES WITH NONSTEROIDAL ANTI-INFLAMMATORY DRUGS MMP17, NAALAD2, DNPEP KDM4E 2703/4885ALDH1A1 380/4885HPGD 229/4885
US-20140256694-A1 STEROID ANTIBIOTIC CONJUGATES CYP17A1, CYP21A2, HSD17B1 KDM4E 1828/4885ALDH1A1 580/4885HPGD 1519/4885
US-20140256658-A1 Antibiotic Conjugates NAALAD2, DNPEP, ENGASE KDM4E 2332/4885ALDH1A1 641/4885HPGD 2556/4885
US-20080287396-A1 Phosphonated Fluoroquinolones, Antibacterial Analogs Thereof, and Methods for the Prevention and Treatment of Bone and Joint Infections BPGM, PSPH, PGLS KDM4E 3645/4885ALDH1A1 4175/4885HPGD 1656/4885
US-20140256612-A1 ANTIBIOTIC CONJUGATES DIRECTLY LINKED WITH STEROID DRUGS CYP21A2, CYP17A1, CYP11A1 KDM4E 1761/4885ALDH1A1 722/4885HPGD 1066/4885

“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.