SCHEMBL13822

SCHEMBL13822

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 2/20 0.38
MC5R P33032 2/20 0.38
MC3R P41968 1/20 0.38
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
KAT2B Q92831 1/20 0.34
IL6 P05231 2/20 0.32
TLR7 Q9NYK1 2/20 0.32
HRH4 Q9H3N8 2/20 0.32
HRH3 Q9Y5N1 2/20 0.32
PARP1 P09874 1/20 0.31

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
SCHEMBL20020031 0.91 PARP1 (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12075420 0.91 MC4R (0.38) MC4RMC5RMC3RHDAC3HDAC4
SCHEMBL12075768 0.91 MC4R (0.38) MC4RMC5RMC3RHDAC3HDAC4
SCHEMBL12061576 0.88 MC4R (0.40) MC4RMC5RMC3RHDAC3HDAC4
SCHEMBL14287 0.88 MC4R (0.36) MC4RMC5RMC3RKAT2BIL6
SCHEMBL14451 0.88 MC4R (0.36) MC4RMC5RMC3RHDAC6KAT2B
SCHEMBL14116 0.87 MC4R (0.35) MC4RMC5RMC3RKAT2BIL6
SCHEMBL13808 0.87 SIGMAR1 (0.37) MC4RMC5RMC3RHDAC3HDAC4
SCHEMBL15787201 0.86 MC4R (0.39) MC4RMC5RMC3RKAT2BIL6
SCHEMBL17484492 0.86 MC4R (0.39) MC4RMC5RMC3RKAT2BIL6

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 MC4R 2989/4885MC5R 3036/4885MC3R 3163/4885
US-20160031893-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.