SCHEMBL14022

SCHEMBL14022

NCCCNCc1ccc(-c2c[nH]c(NC(=O)NCCc3ccc(Cl)c(Cl)c3)nc2=O)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 5/20 0.38
TRPV1 Q8NER1 2/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SIGMAR1 Q99720 2/20 0.35
PTGES O14684 3/20 0.35
GOT1 P17174 1/20 0.35
ALDH2 P05091 1/20 0.34
SLC6A5 Q9Y345 1/20 0.34
NR1I3 Q14994 2/20 0.34
AURKA O14965 1/20 0.33
DYRK3 O43781 1/20 0.33
ROCK2 O75116 1/20 0.33
PRKD3 O94806 1/20 0.33
PRKCG P05129 1/20 0.33
PRKACA P17612 1/20 0.33
RPS6KB1 P23443 1/20 0.33

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
SCHEMBL13861 0.94 MAPK1 (0.39) TRPV1MAPTPTGESALDH2AURKA
SCHEMBL17354186 0.93 RAF1 (0.36) RAF1PTGESALDH2
SCHEMBL14850227 0.92 CNR1 (0.41) CA2LMNAMAPTSMN1; SMN2ROCK2
SCHEMBL13702 0.91 CA2 (0.38) CA1CA2MAPTSLC6A5ROCK2
SCHEMBL14056 0.90 CNR1 (0.42) LMNAMAPTSMN1; SMN2ALDH2SLC6A5
SCHEMBL14203 0.89 CNR1 (0.40) GOT1ALDH2ROCK2ROCK1
SCHEMBL13669 0.89 CNR1 (0.45) GOT1ALDH2ROCK2ROCK1
SCHEMBL17354218 0.89 CA2 (0.38) CA2MAPTSMN1; SMN2
SCHEMBL17354225 0.88 CNR1 (0.36) TRPV1MAPTSMN1; SMN2PTGESGOT1
SCHEMBL17354196 0.87 CNR1 (0.41) TRPV1LMNAMAPTSMN1; SMN2ROCK2

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 RAF1 3608/4885TRPV1 2779/4885CA1 4175/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT RAF1 3608/4885TRPV1 2779/4885CA1 4175/4885

“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.