Sugi Predict

Sugi Predict / Compounds / SCHEMBL14040

SCHEMBL14040

SCHEMBL14040

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY14 Q15391 4/20 0.35
▸ OPRD1 P41143 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ MKNK1 Q9BUB5 1/20 0.35
▸ MKNK2 Q9HBH9 1/20 0.35
▸ CCNB2 O95067 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ CCNB1 P14635 1/20 0.35
▸ GSK3A P49840 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ CCNB3 Q8WWL7 1/20 0.35
▸ MC4R P32245 1/20 0.34
▸ MC5R P33032 1/20 0.34
▸ MC3R P41968 1/20 0.34
▸ SCN8A Q9UQD0 1/20 0.34
▸ PDE2A O00408 1/20 0.33
▸ NPY5R Q15761 1/20 0.33
▸ CSF1R P07333 1/20 0.33
▸ PARP1 P09874 2/20 0.33
▸ SSTR3 P32745 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
SCHEMBL13742 0.92 EP300 (0.40) MC4RMC5RMC3RCSF1RHDAC11
SCHEMBL13836 0.90 KIT (0.36) MC4RMC5RMC3RHDAC11HDAC1
SCHEMBL14831 0.89 SCN8A (0.37) MC4RMC5RMC3RSCN8A
SCHEMBL14503 0.87 MC4R (0.35) MC4RMC5RMC3RPARP1
SCHEMBL14827 0.85 FFAR1 (0.37) MC4RMC5RMC3RPARP1HDAC1
SCHEMBL14438 0.85 EGFR (0.37) CDK1MC4RMC5RMC3RCSF1R
SCHEMBL14456 0.83 MC4R (0.34) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL14309 0.83 MC4R (0.35) MC4RMC5RMC3RPARP1
SCHEMBL14512 0.81 RIPK1 (0.41) HDAC11HDAC1HDAC8
SCHEMBL14420 0.81 FFAR1 (0.40) MC4RMC5RMC3R

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 P2RY14 3825/4885OPRD1 3847/4885SIGMAR1 3381/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT P2RY14 3825/4885OPRD1 3847/4885SIGMAR1 3381/4885

“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.