Sugi Predict

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SCHEMBL13990

SCHEMBL13990

O=C(Nc1nc(=O)c(-c2ccc(CNCc3ccncc3)cc2)c[nH]1)Nc1cc(F)c(F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 3/20 0.38
▸ GSK3B P49841 2/20 0.36
▸ HTT P42858 2/20 0.35
▸ GPR142 Q7Z601 2/20 0.35
▸ ROCK1 Q13464 2/20 0.34
▸ HPSE Q9Y251 1/20 0.34
▸ KDR P35968 3/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33
▸ EPHB4 P54760 1/20 0.33
▸ TEK Q02763 1/20 0.33
▸ MAPK7 Q13164 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ FLT1 P17948 2/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ ALDH2 P05091 1/20 0.33
▸ PLK4 O00444 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ LCK P06239 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
SCHEMBL14850203 0.94 ALDH1A1 (0.38) NAMPTGSK3BHTTGPR142ROCK1
SCHEMBL17354183 0.93 KDR (0.35) NAMPTGSK3BHTTGPR142ROCK1
SCHEMBL14850199 0.88 CD274 (0.35) NAMPTROCK1HPSEKDRFLT1
SCHEMBL13728 0.88 KDR (0.34) ROCK1HPSEKDRFLT1ALDH2
SCHEMBL17354229 0.87 KDR (0.39) NAMPTGSK3BHTTKDREPHB4
SCHEMBL13849 0.87 S1PR1 (0.39) ROCK1HPSEKDRFLT1PLK4
SCHEMBL14093 0.87 HDAC1 (0.37) GPR142ROCK1HPSEKDRFLT1
SCHEMBL13760 0.87 LYN (0.33) ROCK1HPSEKDRFLT1HDAC1
SCHEMBL13637 0.87 LYN (0.36) ROCK1HPSEKDRFLT1HDAC1
SCHEMBL14248 0.87 IKBKB (0.32) GSK3BHPSEHDAC1ALDH2LYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9845297-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2017-12-19 — — US disclosed
US-9845297-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2017-12-19 — — US disclosed
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2016-02-04 — — US disclosed
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2016-02-04 — — US disclosed
US-9216979-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-12-22 — — US disclosed
US-9216979-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-12-22 — — US disclosed
US-20130090326-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2013-04-11 — — US disclosed
US-20130090326-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2013-04-11 — — US disclosed
WO-2011047323-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-20130090326-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT NAMPT 247/4885GSK3B 4479/4885HTT 1768/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT NAMPT 247/4885GSK3B 4479/4885HTT 1768/4885

“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.