SCHEMBL14020

SCHEMBL14020

NCCCNCc1ccc(-n2cc3cc(-c4ccccn4)[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
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KCNH2 Q12809 1/20 0.35
HDAC1 Q13547 1/20 0.35
CDK5 Q00535 3/20 0.34
CDK1 P06493 3/20 0.34
CCNB1 P14635 2/20 0.34
CDK5R1 Q15078 2/20 0.34
CCNB2 O95067 1/20 0.34
GSK3B P49841 1/20 0.34
CCNB3 Q8WWL7 1/20 0.34
TGFBR1 P36897 1/20 0.33

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
SCHEMBL13836 0.84 KIT (0.36) MC4RMC5RMC3RALDH1A1HDAC1
SCHEMBL14828 0.83 GRK5 (0.39) MC4RMC5RMC3RPRKD3PRKCG
SCHEMBL12061548 0.83 MC4R (0.38) MC4RMC5RMC3RPRKD3PRKCG
SCHEMBL14309 0.81 MC4R (0.35) MC4RMC5RMC3RIL6TLR7
SCHEMBL14503 0.81 MC4R (0.35) MC4RMC5RMC3RIL6TLR7
SCHEMBL14827 0.81 FFAR1 (0.37) MC4RMC5RMC3RHDAC1
SCHEMBL14420 0.81 FFAR1 (0.40) MC4RMC5RMC3REGFR
SCHEMBL15787201 0.80 MC4R (0.39) MC4RMC5RMC3REGFRIL6
SCHEMBL17484492 0.80 MC4R (0.39) MC4RMC5RMC3RIL6TLR7
SCHEMBL12061576 0.80 MC4R (0.40) MC4RMC5RMC3RHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488525-B1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MELINTA THERAPEUTICS INC (US) 2018-04-25 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-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.