SCHEMBL14532

SCHEMBL14532

N=C(N)NCCCNCc1ccc(-n2cc3cc[nH]c3nc2=O)cc1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.32
ALDH1A1 P00352 1/20 0.31
F2 P00734 1/20 0.30
F10 P00742 1/20 0.30
PRSS1 P07477 1/20 0.30

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
SCHEMBL20082452 0.94 PARP1 (0.33) PARP1F2F10PRSS1
SCHEMBL13954 0.85 MC4R (0.39) PARP1
SCHEMBL14145 0.83 MAPT (0.31) PARP1ALDH1A1F2F10PRSS1
SCHEMBL20019746 0.83 PARP1 (0.31) PARP1F2F10PRSS1
SCHEMBL14315402 0.83 PARP1 (0.31) PARP1F2F10PRSS1
SCHEMBL20019754 0.82 PARP1 (0.32) PARP1F2F10PRSS1
SCHEMBL12075212 0.82 OPRM1 (0.31) PARP1F2F10PRSS1
SCHEMBL14177 0.82 PARP1 (0.30) PARP1F2F10PRSS1
SCHEMBL20019825 0.82 PARP1 (0.30) PARP1F2F10PRSS1
SCHEMBL20019810 0.81 HDAC3 (0.33) PARP1ALDH1A1F2F10PRSS1

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
US-10815238-B2 Antimicrobial compounds and methods of making and using the same BioVersys AG (CH) 2020-10-27 US disclosed
US-20190284190-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2019-09-19 US disclosed
EP-2488525-B1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MELINTA THERAPEUTICS INC (US) 2018-04-25 EP disclosed
EP-2697229-B1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MELINTA THERAPEUTICS INC (US) 2018-04-04 EP 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-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 (4 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 PARP1 1324/4885ALDH1A1 1117/4885F2 2029/4885
US-20190284190-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT PARP1 1384/4885ALDH1A1 1218/4885F2 1772/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT PARP1 1324/4885ALDH1A1 1117/4885F2 2029/4885
US-10815238-B2 Antimicrobial compounds and methods of making and using the same MPO, LPO, CAT PARP1 1384/4885ALDH1A1 1218/4885F2 1772/4885

“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.