SCHEMBL14828

SCHEMBL14828

NCCCNCc1ccc(-n2cc3cc(-c4ccccc4Cl)[nH]c3nc2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK5 P34947 1/20 0.39
MC4R P32245 2/20 0.38
MC5R P33032 2/20 0.38
MC3R P41968 1/20 0.38
FFAR1 O14842 1/20 0.34
POLB P06746 1/20 0.33
ACHE P22303 8/20 0.33
MARS1 P56192 1/20 0.32
HTR1A P08908 1/20 0.32
HTR1D P28221 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR7 P34969 1/20 0.32
HTR2B P41595 1/20 0.32
HTR5A P47898 1/20 0.32
HTR6 P50406 1/20 0.32
PAK1 Q13153 1/20 0.32
PRKD3 O94806 1/20 0.32
PRKCG P05129 1/20 0.32
PRKCB P05771 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
SCHEMBL12061548 0.89 MC4R (0.38) MC4RMC5RMC3RFFAR1ACHE
SCHEMBL14827 0.86 FFAR1 (0.37) MC4RMC5RMC3RFFAR1ACHE
SCHEMBL14309 0.85 MC4R (0.35) MC4RMC5RMC3RACHE
SCHEMBL14420 0.84 FFAR1 (0.40) MC4RMC5RMC3RFFAR1POLB
SCHEMBL14020 0.83 MC4R (0.38) MC4RMC5RMC3RHTR6PRKD3
SCHEMBL13836 0.82 KIT (0.36) MC4RMC5RMC3RPRKD3PRKCG
SCHEMBL14503 0.81 MC4R (0.35) MC4RMC5RMC3R
SCHEMBL15787201 0.80 MC4R (0.39) MC4RMC5RMC3RHTR6
SCHEMBL17484492 0.80 MC4R (0.39) MC4RMC5RMC3RHTR6
SCHEMBL12061576 0.80 MC4R (0.40) MC4RMC5RMC3RACHE

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 GRK5 4305/4885MC4R 2989/4885MC5R 3036/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT GRK5 4305/4885MC4R 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.