SCHEMBL13834

SCHEMBL13834

NCCCNCc1ccc(-c2c[nH]c(Nc3nc4cc(F)c(F)cc4[nH]3)nc2=O)cc1F

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.35
HDAC11 Q96DB2 1/20 0.34
MC1R Q01726 1/20 0.33
MAP3K8 P41279 1/20 0.32
GRK5 P34947 1/20 0.32
ACHE P22303 4/20 0.31
PDCD1LG2 Q9BQ51 1/20 0.30
CD274 Q9NZQ7 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
SCHEMBL13802 0.90 BDKRB1 (0.46) BDKRB1MC1RGRK5ACHE
SCHEMBL13833 0.89 PARP1 (0.35) HDAC11GRK5CD274
SCHEMBL14012 0.86 GRK5 (0.32) BDKRB1MC1RMAP3K8GRK5
SCHEMBL14853493 0.85 HDAC11 (0.33) BDKRB1HDAC11
SCHEMBL13622 0.85 MC4R (0.35) HDAC11GRK5
SCHEMBL14122 0.83 PLK4 (0.32) MC1R
SCHEMBL14108 0.82 ACR (0.33) BDKRB1
SCHEMBL17354359 0.81 KDM1A (0.36) BDKRB1MC1RACHEPDCD1LG2CD274
SCHEMBL17354396 0.81 F9 (0.33) BDKRB1MAP3K8GRK5
SCHEMBL14850242 0.80 ALOX5AP (0.37)

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 7 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-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 BDKRB1 3258/4885HDAC11 3364/4885MC1R 3425/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT BDKRB1 3258/4885HDAC11 3364/4885MC1R 3425/4885

“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.