SCHEMBL16008951

SCHEMBL16008951

COc1c(N2CCNC(C)C2)c(F)cc2c(=O)c(C(=O)OCC=O)cn(C3CC3)c12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.77
ALDH1A1 P00352 6/20 0.77
HPGD P15428 6/20 0.77
HSD17B10 Q99714 4/20 0.77
KCNH2 Q12809 3/20 0.77
POLB P06746 2/20 0.77
TDP1 Q9NUW8 2/20 0.77
PRKD3 O94806 1/20 0.77
ALOX15 P16050 1/20 0.77
OPRM1 P35372 1/20 0.77
CLK2 P49760 1/20 0.77
CLK4 Q9HAZ1 1/20 0.77
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
LMNA P02545 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50
CYP2C19 P33261 1/20 0.49
ATM Q13315 1/20 0.49
PMP22 Q01453 1/20 0.49

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
SCHEMBL16010307 0.94 KDM4E (0.78) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL5009616 0.93 KDM4E (0.75) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL16008600 0.92 KDM4E (0.73) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL15132795 0.89 KDM4E (0.85) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL14615964 0.89 KDM4E (0.79) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL16009404 0.88 KDM4E (0.82) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL14616035 0.88 KDM4E (0.74) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL16014210 0.87 KDM4E (0.71) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL16008949 0.87 KDM4E (0.81) KDM4EALDH1A1HPGDHSD17B10KCNH2
(R)-Gatifloxacin SCHEMBL5670068 0.87 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10KCNH2

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 5 patents. 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
EP-2964266-A1 ANTIBIOTIC CONJUGATES DIRECTLY LINKED WITH STEROID DRUGS ALLERGAN, INC. (US) 2016-01-13 EP disclosed
WO-2014138350-A1 ANTIBIOTIC CONJUGATES DIRECTLY LINKED WITH STEROID DRUGS ALLERGAN, INC. (US) 2014-09-12 WO disclosed
US-20140256612-A1 ANTIBIOTIC CONJUGATES DIRECTLY LINKED WITH STEROID DRUGS ALLERGAN, INC. (US) 2014-09-11 US disclosed
US-20140256660-A1 ANTIBIOTIC CONJUGATES LINKED WITH STEROID DRUGS ALLERGAN, INC. (US) 2014-09-11 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-20140256660-A1 ANTIBIOTIC CONJUGATES LINKED WITH STEROID DRUGS CYP21A2, CYP17A1, CYP46A1 KDM4E 1874/4885ALDH1A1 879/4885HPGD 1251/4885
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.