SCHEMBL14007

SCHEMBL14007

N=C(N)NCCCN(CCCN)Cc1ccc(-c2c[nH]c(NC(=O)NCCc3ccc(Cl)c(Cl)c3)nc2=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 3/20 0.36
TRPV1 Q8NER1 2/20 0.36
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GBA1 P04062 1/20 0.33
SSTR2 P30874 3/20 0.32
SSTR4 P31391 3/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
SIGMAR1 Q99720 2/20 0.32
GOT1 P17174 1/20 0.31
PYGL P06737 1/20 0.31
HAT1 O14929 1/20 0.31
EP300 Q09472 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL17354356 0.94 RAF1 (0.35) RAF1TRPV1CA2HSP90AA1HSP90AB1
SCHEMBL14032 0.92 CNR1 (0.36) CA2LMNAMAPTHTT
SCHEMBL14088 0.91 CNR1 (0.38) LMNAMAPTSMN1; SMN2HAT1EP300
SCHEMBL14152 0.90 CNR1 (0.38) HSP90AA1HSP90AB1GOT1HAT1EP300
SCHEMBL13612 0.90 CNR1 (0.32) HSP90AA1HSP90AB1
SCHEMBL17354273 0.89 CA2 (0.37) CA1CA2SMN1; SMN2
SCHEMBL13988 0.89 CA2 (0.36) CA1CA2MAPTHAT1EP300
SCHEMBL17354278 0.89 HSP90AA1 (0.32) MAPTSMN1; SMN2HSP90AA1HSP90AB1
SCHEMBL17354297 0.89 CNR1 (0.36) LMNA
SCHEMBL14024 0.86 IGF1R (0.34) HSP90AA1HSP90AB1

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.