SCHEMBL14167

SCHEMBL14167

NCCCNCc1ccc(-c2c[nH]c(NC(=O)NCCCc3cc(F)c(F)cc3F)nc2=O)cc1F

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RET P07949 11/20 0.34
KDR P35968 8/20 0.34
BTK Q06187 4/20 0.32
ALDH2 P05091 1/20 0.31
NAMPT P43490 1/20 0.31
PDCD1LG2 Q9BQ51 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
EGLN1 Q9GZT9 1/20 0.30
ROCK2 O75116 1/20 0.30

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
SCHEMBL14045 0.92 RET (0.32) RETKDRBTKPDCD1LG2CD274
SCHEMBL17354508 0.91 PDCD1LG2 (0.32) RETKDRPDCD1LG2CD274
SCHEMBL17354265 0.90 ABL1 (0.34) RETKDRBTKPDCD1LG2CD274
SCHEMBL13702 0.88 CA2 (0.38) NAMPTROCK2
SCHEMBL13768 0.87 CA12 (0.34) RETKDRALDH2PDCD1LG2CD274
SCHEMBL13809 0.86 ABL1 (0.39) RETKDRROCK2
SCHEMBL14850227 0.86 CNR1 (0.41) ROCK2
SCHEMBL13669 0.86 CNR1 (0.45) ALDH2ROCK2
SCHEMBL17354218 0.86 CA2 (0.38) RETKDRBTKNAMPT
SCHEMBL14203 0.86 CNR1 (0.40) RETKDRBTKALDH2PDCD1LG2

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 RET 4806/4885KDR 4838/4885BTK 3114/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT RET 4806/4885KDR 4838/4885BTK 3114/4885

“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.