SCHEMBL14827

SCHEMBL14827

NCCCNCc1ccc(-n2cc3cc(-c4ccccc4C(F)(F)F)[nH]c3nc2=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.37
MC4R P32245 1/20 0.36
MC5R P33032 1/20 0.36
MC3R P41968 1/20 0.36
KIT P10721 1/20 0.34
PARP1 P09874 1/20 0.33
ACHE P22303 3/20 0.32
BRD4 O60885 1/20 0.32
HDAC1 Q13547 1/20 0.32
PIK3C3 Q8NEB9 2/20 0.32
USP1 O94782 2/20 0.32
WDR48 Q8TAF3 2/20 0.32
CYP3A4 P08684 1/20 0.32
CACNA1G O43497 1/20 0.31
NOTUM Q6P988 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
SCHEMBL14420 0.87 FFAR1 (0.40) FFAR1MC4RMC5RMC3RKIT
SCHEMBL14828 0.86 GRK5 (0.39) FFAR1MC4RMC5RMC3RACHE
SCHEMBL12061548 0.86 MC4R (0.38) FFAR1MC4RMC5RMC3RACHE
SCHEMBL14040 0.85 P2RY14 (0.35) MC4RMC5RMC3RPARP1HDAC1
SCHEMBL14309 0.84 MC4R (0.35) MC4RMC5RMC3RPARP1ACHE
SCHEMBL14020 0.81 MC4R (0.38) MC4RMC5RMC3RHDAC1
SCHEMBL14503 0.81 MC4R (0.35) MC4RMC5RMC3RKITPARP1
SCHEMBL14831 0.80 SCN8A (0.37) MC4RMC5RMC3RKITBRD4
SCHEMBL13836 0.80 KIT (0.36) MC4RMC5RMC3RKITHDAC1
SCHEMBL13742 0.79 EP300 (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 5 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-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 FFAR1 4404/4885MC4R 2989/4885MC5R 3036/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT FFAR1 4404/4885MC4R 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.