SCHEMBL13586

SCHEMBL13586

NCCCNCc1ccc(-c2c[nH]c(NC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)nc2=O)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.44
KMT2A Q03164 7/20 0.44
MEN1 O00255 6/20 0.44
NPC1 O15118 2/20 0.44
MAPK1 P28482 2/20 0.44
RAB9A P51151 2/20 0.44
TRPV1 Q8NER1 1/20 0.39
HTT P42858 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 4/20 0.36
ACHE P22303 1/20 0.35
BACE1 P56817 1/20 0.35
DYRK1A Q13627 1/20 0.35
LMNA P02545 2/20 0.34
AURKA O14965 1/20 0.34
PDPK1 O15530 1/20 0.34
JAK2 O60674 1/20 0.34
GMNN O75496 1/20 0.34
EGFR P00533 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL13620 0.95 CA12 (0.40) MAPTKMT2AMEN1NPC1MAPK1
SCHEMBL13801 0.92 MAPT (0.43) MAPTKMT2AMEN1NPC1MAPK1
SCHEMBL13805 0.90 GCGR (0.36) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL14001 0.90 KMT2A (0.41) MAPTKMT2AMEN1MAPK1RAB9A
SCHEMBL17354277 0.89 POLB (0.40) MAPTKMT2AMEN1HTTALDH1A1
SCHEMBL14850226 0.88 LMNA (0.43) MAPTKMT2AMEN1MAPK1HTT
SCHEMBL13789 0.88 ALDH2 (0.35) LYNKITSRCKDR
SCHEMBL14850239 0.88 RIPK1 (0.43) MAPTKMT2AMEN1NPC1HTT
SCHEMBL13754 0.87 IGF1R (0.40) TRPV1LYNKITSRCKDR
SCHEMBL14008 0.86 ALDH2 (0.33) LYNKITSRCKDR

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 MAPT 4371/4885KMT2A 4518/4885MEN1 3118/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT MAPT 4371/4885KMT2A 4518/4885MEN1 3118/4885

“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.