SCHEMBL13622

SCHEMBL13622

NCCCNCc1ccc(-c2c[nH]c(Nc3nc4cc(F)c(F)cc4[nH]3)nc2=O)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.35
MC5R P33032 1/20 0.35
MC3R P41968 1/20 0.35
HDAC11 Q96DB2 1/20 0.34
GRK5 P34947 1/20 0.31
HTR6 P50406 1/20 0.30
S1PR1 P21453 1/20 0.30
VSIR Q9H7M9 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
SCHEMBL13833 0.92 PARP1 (0.35) MC4RMC5RMC3RHDAC11GRK5
SCHEMBL13793 0.90 MC4R (0.39) MC4RMC5RMC3RGRK5
SCHEMBL13834 0.85 BDKRB1 (0.35) HDAC11GRK5
SCHEMBL13605 0.82 MC4R (0.34) MC4RMC5RMC3R
SCHEMBL13704 0.79 ROCK1 (0.41) MC4RMC5RMC3RVSIR
SCHEMBL13897 0.79 HDAC11 (0.34) HDAC11
SCHEMBL17354190 0.78 DRD2 (0.32) MC4RMC5RMC3R
SCHEMBL13700 0.77 MC4R (0.35) MC4RMC5RMC3RGRK5S1PR1
SCHEMBL13802 0.76 BDKRB1 (0.46) GRK5
SCHEMBL13875 0.74 PLK4 (0.34) MC4RMC5RMC3RVSIR

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 MC4R 2989/4885MC5R 3036/4885MC3R 3163/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT MC4R 2989/4885MC5R 3036/4885MC3R 3163/4885

“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.