SCHEMBL13836

SCHEMBL13836

NCCCNCc1ccc(-n2cc3cc(-c4ccncc4)[nH]c3nc2=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 5/20 0.36
MC4R P32245 1/20 0.36
MC5R P33032 1/20 0.36
MC3R P41968 1/20 0.36
CLK1 P49759 1/20 0.34
NAMPT P43490 1/20 0.33
ALDH1A1 P00352 1/20 0.32
KAT2B Q92831 1/20 0.32
FLT3 P36888 1/20 0.32
PRKCB P05771 2/20 0.32
PRKCA P17252 2/20 0.32
PRKCH P24723 2/20 0.32
PRKCE Q02156 2/20 0.32
PRKCQ Q04759 2/20 0.32
PRKCD Q05655 2/20 0.32
PRKD3 O94806 1/20 0.32
PRKCG P05129 1/20 0.32
PRKCI P41743 1/20 0.32
PRKCZ Q05513 1/20 0.32
PRKD1 Q15139 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
SCHEMBL14040 0.90 P2RY14 (0.35) MC4RMC5RMC3RHDAC1HDAC11
SCHEMBL14456 0.88 MC4R (0.34) MC4RMC5RMC3RKAT2BHDAC3
SCHEMBL14503 0.87 MC4R (0.35) KITMC4RMC5RMC3RKAT2B
SCHEMBL13742 0.87 EP300 (0.40) MC4RMC5RMC3RALDH1A1ERBB2
SCHEMBL14438 0.85 EGFR (0.37) KITMC4RMC5RMC3RKAT2B
SCHEMBL14831 0.85 SCN8A (0.37) KITMC4RMC5RMC3RALDH1A1
SCHEMBL14020 0.84 MC4R (0.38) MC4RMC5RMC3RALDH1A1PRKCB
SCHEMBL14309 0.83 MC4R (0.35) MC4RMC5RMC3RKAT2B
SCHEMBL15787201 0.83 MC4R (0.39) MC4RMC5RMC3RKAT2BEGFR
SCHEMBL17484492 0.83 MC4R (0.39) MC4RMC5RMC3RKAT2B

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 (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-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT KIT 3949/4885MC4R 2989/4885MC5R 3036/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT KIT 3949/4885MC4R 2989/4885MC5R 3036/4885

“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.