SCHEMBL14850243

SCHEMBL14850243

NCCCN(CCCN)Cc1ccc(-c2c[nH]c(Nc3ccc(C(F)(F)F)cc3)nc2=O)cc1F

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RET P07949 7/20 0.34
KDR P35968 6/20 0.34
S1PR1 P21453 1/20 0.34
KIF11 P52732 2/20 0.33
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
EPHX2 P34913 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
PIM1 P11309 2/20 0.31
PIM3 Q86V86 2/20 0.31
KDM1A O60341 1/20 0.31
CLK1 P49759 1/20 0.31
DYRK1A Q13627 1/20 0.31

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
SCHEMBL14850244 0.92 GCGR (0.33) RETKDRS1PR1
SCHEMBL17354286 0.89 S1PR1 (0.33) RETKDRS1PR1MAPT
SCHEMBL14850242 0.85 ALOX5AP (0.37) RETKDRKIF11TP53MAPT
SCHEMBL14850224 0.85 RET (0.32) RETKDRS1PR1ALOX5APFEN1
SCHEMBL14120 0.85 DYRK1A (0.36) RETKDRS1PR1EPHX2ALOX5AP
SCHEMBL17354240 0.81 S1PR1 (0.31) S1PR1
SCHEMBL14850223 0.81 C1R (0.34) RETKDRS1PR1
SCHEMBL14853493 0.80 HDAC11 (0.33)
SCHEMBL14853447 0.79 BDKRB1 (0.41) S1PR1TP53MAPTPIM1DYRK1A
SCHEMBL14850217 0.79 CHEK1 (0.36) RETKDRKIF11TP53MAPT

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 8 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

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 4838/4885S1PR1 3139/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT RET 4806/4885KDR 4838/4885S1PR1 3139/4885

“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.