Sugi Predict

Sugi Predict / Compounds / SCHEMBL13571

SCHEMBL13571

SCHEMBL13571

NCCCNCc1ccc(-c2c[nH]c(NC(=O)Nc3cccc(Cl)c3F)nc2=O)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH2 P05091 2/20 0.39
▸ GRK5 P34947 1/20 0.36
▸ PDCD1LG2 Q9BQ51 1/20 0.36
▸ CD274 Q9NZQ7 1/20 0.36
▸ KDR P35968 3/20 0.33
▸ LYN P07948 2/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ LCK P06239 1/20 0.33
▸ FYN P06241 1/20 0.33
▸ CSF1R P07333 1/20 0.33
▸ KIT P10721 1/20 0.33
▸ SRC P12931 1/20 0.33
▸ FLT1 P17948 1/20 0.33
▸ FLT4 P35916 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ BLK P51451 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPK1 P28482 2/20 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
SCHEMBL14067 0.94 ALDH2 (0.39) ALDH2GRK5PDCD1LG2CD274KDR
SCHEMBL13618 0.91 ALDH2 (0.40) ALDH2GRK5PDCD1LG2CD274KDR
SCHEMBL17354221 0.91 KDR (0.34) ALDH2PDCD1LG2CD274KDRLYN
SCHEMBL13789 0.90 ALDH2 (0.35) ALDH2GRK5PDCD1LG2CD274KDR
SCHEMBL17354200 0.89 PDCD1LG2 (0.38) ALDH2GRK5PDCD1LG2CD274KDR
SCHEMBL13860 0.89 CA12 (0.34) PDCD1LG2CD274KDRLYNABL1
SCHEMBL13729 0.88 KMT2A (0.36) ALDH2GRK5PDCD1LG2CD274KDR
SCHEMBL13805 0.88 GCGR (0.36) ALDH2GRK5PDCD1LG2CD274KDR
SCHEMBL14207 0.88 DGAT2 (0.39) GRK5PDCD1LG2CD274KDM4EALDH1A1
SCHEMBL14008 0.87 ALDH2 (0.33) ALDH2GRK5PDCD1LG2CD274KDR

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 ALDH2 611/4885GRK5 4305/4885PDCD1LG2 3978/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT ALDH2 611/4885GRK5 4305/4885PDCD1LG2 3978/4885

“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.