SCHEMBL14093

SCHEMBL14093

O=C(Nc1nc(=O)c(-c2ccc(CNCC3CC3)cc2)c[nH]1)Nc1cc(F)c(F)cc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.37
JAK1 P23458 6/20 0.34
HPSE Q9Y251 2/20 0.33
DGAT1 O75907 1/20 0.33
MET P08581 2/20 0.32
AXL P30530 1/20 0.32
ABL1 P00519 1/20 0.32
ALDH2 P05091 1/20 0.32
JAK2 O60674 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
PLK4 O00444 1/20 0.32
AURKA O14965 1/20 0.32
ROCK2 O75116 1/20 0.32
NTRK1 P04629 1/20 0.32
LCK P06239 1/20 0.32
CDK1 P06493 1/20 0.32
CSF1R P07333 1/20 0.32
LYN P07948 1/20 0.32
FGFR1 P11362 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
SCHEMBL17354212 0.93 HDAC1 (0.35) HDAC1JAK1ABL1JAK2CHEK1
SCHEMBL13990 0.87 NAMPT (0.38) HDAC1HPSEMETALDH2PLK4
SCHEMBL13728 0.86 KDR (0.34) HPSEDGAT1METALDH2PLK4
SCHEMBL13849 0.85 S1PR1 (0.39) HPSEDGAT1METPLK4AURKA
SCHEMBL13637 0.85 LYN (0.36) HDAC1HPSEMETAXLALDH2
SCHEMBL13760 0.85 LYN (0.33) HDAC1HPSEMETALDH2PLK4
SCHEMBL13852 0.85 MAPK14 (0.33) HPSEMETALDH2PLK4AURKA
SCHEMBL14850206 0.84 S1PR1 (0.38) HDAC1HPSEMETPLK4AURKA
SCHEMBL13854 0.84 PIM1 (0.33) JAK1HPSEMETAXLALDH2
SCHEMBL17354505 0.84 HPSE (0.32) HPSEMETALDH2PLK4AURKA

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 HDAC1 2713/4885JAK1 3313/4885HPSE 1742/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT HDAC1 2713/4885JAK1 3313/4885HPSE 1742/4885

“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.