SCHEMBL14378

SCHEMBL14378

CC(C)(C)OC(=O)N1CCN(c2cc(Br)cc(C(=O)N3CCS(=O)(=O)CC3)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 3/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
ESRRB O95718 1/20 0.41
ESR1 P03372 1/20 0.41
ESRRA P11474 1/20 0.41
ESRRG P62508 1/20 0.41
CNR2 P34972 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
CYP2C19 P33261 1/20 0.39
GPR119 Q8TDV5 5/20 0.39
FAAH O00519 1/20 0.39
PDK2 Q15119 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KCNH2 Q12809 1/20 0.39
NAMPT P43490 1/20 0.39
BACE1 P56817 1/20 0.38

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
SCHEMBL14385 0.84 MEN1 (0.42) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL16528113 0.83 LMNA (0.49) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL24847031 0.82 MAPT (0.56) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL4934652 0.81 LMNA (0.47) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL16528279 0.79 SMN1; SMN2 (0.46) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL30930919 0.78 MAPT (0.51) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL19001559 0.78 MAPT (0.51) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL24847153 0.77 LMNA (0.48) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL3753571 0.77 MAPT (0.50) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL12171721 0.77 MEN1 (0.51) MEN1KMT2ALMNAALDH1A1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488525-B1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MELINTA THERAPEUTICS INC (US) 2018-04-25 EP disclosed
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2016-02-04 US disclosed
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2016-02-04 US disclosed
US-9193731-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-11-24 US disclosed
US-9193731-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-11-24 US disclosed
US-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2012-08-30 US disclosed
US-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2012-08-30 US disclosed
WO-2011047319-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2011-04-21 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 (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-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT MEN1 3118/4885KMT2A 4518/4885LMNA 2222/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT MEN1 3118/4885KMT2A 4518/4885LMNA 2222/4885

“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.