SCHEMBL14012

SCHEMBL14012

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

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRK5 P34947 1/20 0.32
BDKRB1 P46663 1/20 0.32
PDE10A Q9Y233 1/20 0.32
IDO1 P14902 1/20 0.32
MC1R Q01726 1/20 0.31
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31
CSNK2A1 P68400 1/20 0.31
CSNK2A3 Q8NEV1 1/20 0.31
MAP3K8 P41279 1/20 0.31
F10 P00742 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
SCHEMBL17354396 0.94 F9 (0.33) GRK5BDKRB1IDO1MAP3K8
SCHEMBL14108 0.89 ACR (0.33) BDKRB1
SCHEMBL13834 0.86 BDKRB1 (0.35) GRK5BDKRB1MC1RMAP3K8
SCHEMBL17354237 0.84 F9 (0.36) BDKRB1
SCHEMBL13648 0.83 GRK5 (0.30) GRK5
SCHEMBL14850253 0.81 SMN1; SMN2 (0.43) BDKRB1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL17354284 0.79
SCHEMBL13802 0.77 BDKRB1 (0.46) GRK5BDKRB1MC1R
SCHEMBL13732 0.77 BDKRB1 (0.41) BDKRB1
SCHEMBL14122 0.77 PLK4 (0.32) MC1R

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 6 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
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 (1 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-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT GRK5 4305/4885BDKRB1 3258/4885PDE10A 2382/4885

“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.