SCHEMBL14831

SCHEMBL14831

NCCCNCc1ccc(-n2cc3cc(-c4ccc(OC(F)(F)F)cc4)[nH]c3nc2=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 1/20 0.37
BRD4 O60885 1/20 0.36
ALK Q9UM73 1/20 0.35
KIT P10721 6/20 0.35
PPARD Q03181 3/20 0.34
PPARA Q07869 3/20 0.34
PPARG P37231 2/20 0.34
AVPR1B P47901 1/20 0.34
MC4R P32245 1/20 0.34
MC5R P33032 1/20 0.34
MC3R P41968 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SCN9A Q15858 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
SCN10A Q9Y5Y9 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
SCHEMBL14040 0.89 P2RY14 (0.35) SCN8AMC4RMC5RMC3R
SCHEMBL13742 0.85 EP300 (0.40) MC4RMC5RMC3RALDH1A1
SCHEMBL14420 0.85 FFAR1 (0.40) KITMC4RMC5RMC3RPOLB
SCHEMBL13836 0.85 KIT (0.36) KITMC4RMC5RMC3RALDH1A1
SCHEMBL14503 0.84 MC4R (0.35) KITMC4RMC5RMC3R
SCHEMBL14438 0.82 EGFR (0.37) KITMC4RMC5RMC3R
SCHEMBL13962 0.81 SLC6A5 (0.30) KIT
SCHEMBL14456 0.80 MC4R (0.34) MC4RMC5RMC3R
SCHEMBL14309 0.80 MC4R (0.35) MC4RMC5RMC3R
SCHEMBL14827 0.80 FFAR1 (0.37) BRD4KITMC4RMC5RMC3R

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 SCN8A 4822/4885BRD4 3092/4885ALK 4843/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT SCN8A 4822/4885BRD4 3092/4885ALK 4843/4885

“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.