SCHEMBL13752

SCHEMBL13752

Cc1nc(=O)c(CNCCCNC(=N)N)c[nH]1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PNP P00491 4/20 0.35
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
HPRT1 P00492 1/20 0.33
MC1R Q01726 2/20 0.32
MC5R P33032 1/20 0.32
MC3R P41968 1/20 0.32

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
SCHEMBL14850117 0.84 PNP (0.33) PNPBCHEACHEHPRT1MC1R
SCHEMBL14042 0.82 BTK (0.32) BCHEACHE
SCHEMBL14201 0.81 PDCD1LG2 (0.37) BCHEACHE
SCHEMBL13547 0.81 PARP1 (0.37)
SCHEMBL13869 0.80 CD274 (0.37) ACHE
SCHEMBL17354492 0.79 CD274 (0.40) BCHEACHE
SCHEMBL14850123 0.77 MAPT (0.41)
SCHEMBL14259 0.74 KDM4E (0.31)
SCHEMBL21513920 0.68 PARP1 (0.38)
SCHEMBL21513916 0.67 PARP1 (0.36) MC1RMC5RMC3R

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 5 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-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-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 PNP 1189/4885BCHE 1327/4885ACHE 1861/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT PNP 1189/4885BCHE 1327/4885ACHE 1861/4885

“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.