SCHEMBL14108

SCHEMBL14108

NCCCNCc1ccc(-c2c[nH]c(NC(=O)NCCc3nc4cc(F)c(F)cc4[nH]3)nc2=O)cc1F

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACR P10323 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
F9 P00740 2/20 0.32
ABL1 P00519 4/20 0.32
BDKRB1 P46663 1/20 0.32
BTK Q06187 1/20 0.31
CTSS P25774 1/20 0.30
SLC40A1 Q9NP59 1/20 0.30
RET P07949 1/20 0.30
KDR P35968 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
SCHEMBL17354237 0.94 F9 (0.36) ACRSMN1; SMN2F9ABL1BDKRB1
SCHEMBL14850253 0.92 SMN1; SMN2 (0.43) SMN1; SMN2BDKRB1CTSSSLC40A1
SCHEMBL14012 0.89 GRK5 (0.32) BDKRB1
SCHEMBL13732 0.86 BDKRB1 (0.41) ABL1BDKRB1SLC40A1
SCHEMBL14167 0.85 RET (0.34) BTKRETKDR
SCHEMBL13702 0.84 CA2 (0.38)
SCHEMBL17354396 0.83 F9 (0.33) F9BDKRB1
SCHEMBL14850227 0.83 CNR1 (0.41) SMN1; SMN2
SCHEMBL17354218 0.83 CA2 (0.38) SMN1; SMN2BTKRETKDR
SCHEMBL13669 0.83 CNR1 (0.45)

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 ACR 128/4885SMN1; SMN2 3979/4885F9 3207/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT ACR 128/4885SMN1; SMN2 3979/4885F9 3207/4885

“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.