SCHEMBL13791

SCHEMBL13791

NCCCCCN1CCN(c2c[nH]c(NC(=O)Nc3cccc(Cl)c3F)nc2=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
DRD2 P14416 12/20 0.40
HTR1A P08908 9/20 0.40
DRD3 P35462 5/20 0.40
DRD4 P21917 3/20 0.40
ADRA1D P25100 3/20 0.40
ADRA1A P35348 3/20 0.40
ADRA1B P35368 3/20 0.40
BACE1 P56817 1/20 0.39
HTR2A P28223 8/20 0.39
HTR7 P34969 3/20 0.38
HTR6 P50406 3/20 0.38
CACNA1G O43497 1/20 0.37
HTR2C P28335 4/20 0.37
SLC6A4 P31645 3/20 0.37
MAPK1 P28482 1/20 0.37
PARP1 P09874 1/20 0.36
KCNH2 Q12809 1/20 0.36
PARP2 Q9UGN5 1/20 0.36

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
SCHEMBL13973 0.99 TP53 (0.41) TP53DRD2HTR1ADRD3DRD4
SCHEMBL17354291 0.90 BACE1 (0.39) DRD2HTR1ADRD3ADRA1DADRA1A
SCHEMBL17354326 0.89 HTR1A (0.39) DRD2HTR1ADRD3ADRA1DADRA1A
SCHEMBL14850245 0.89 DRD2 (0.46) TP53DRD2HTR1ADRD3DRD4
SCHEMBL17486586 0.89 DRD2 (0.43) TP53DRD2HTR1ADRD3DRD4
SCHEMBL14107 0.88 DRD2 (0.46) TP53DRD2HTR1ADRD3DRD4
SCHEMBL14290 0.85 SLC6A4 (0.43) DRD2SLC6A4
SCHEMBL17354259 0.85 KMT2A (0.46) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL13929 0.85 BACE1 (0.41) DRD2HTR1ADRD3ADRA1AADRA1B
SCHEMBL13889 0.85 SLC6A4 (0.42) DRD2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9845297-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2017-12-19 US disclosed
US-9845297-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2017-12-19 US disclosed
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2016-02-04 US disclosed
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2016-02-04 US disclosed
US-9216979-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-12-22 US disclosed
US-9216979-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-12-22 US disclosed
US-20130090326-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2013-04-11 US disclosed
US-20130090326-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2013-04-11 US disclosed
WO-2011047323-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-20130090326-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT TP53 3023/4885DRD2 2468/4885HTR1A 4608/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT TP53 3023/4885DRD2 2468/4885HTR1A 4608/4885

“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.