SCHEMBL14123

SCHEMBL14123

NCCCN(CCCN)Cc1ccc(-c2c[nH]c(NC(=O)Nc3ccccc3OC(F)(F)F)nc2=O)cc1F

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 1/20 0.37
ABL1 P00519 2/20 0.37
KDR P35968 8/20 0.36
KIT P10721 1/20 0.36
FLT3 P36888 1/20 0.36
P2RY1 P47900 2/20 0.35
KCNH2 Q12809 1/20 0.35
S1PR1 P21453 2/20 0.34
RET P07949 7/20 0.33
IGF1R P08069 1/20 0.33
DGAT1 O75907 1/20 0.33
CAMKK2 Q96RR4 1/20 0.33
EGFR P00533 1/20 0.32
FGFR1 P11362 1/20 0.32

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
SCHEMBL13678 0.91 IDH2 (0.38) IDH2ABL1KDRKITFLT3
SCHEMBL17486554 0.90 P2RY1 (0.35) KDRFLT3P2RY1KCNH2S1PR1
SCHEMBL13589 0.89 KDR (0.40) IDH2ABL1KDRKITFLT3
SCHEMBL13837 0.89 IDH2 (0.41) IDH2ABL1KDRKITFLT3
SCHEMBL13975 0.87 KDR (0.38) IDH2ABL1KDRKITFLT3
SCHEMBL14147 0.87 KDR (0.38) IDH2ABL1KDRKITFLT3
SCHEMBL17354151 0.87 S1PR1 (0.39) ABL1KDRKITFLT3P2RY1
SCHEMBL13963 0.87 KDR (0.38) IDH2ABL1KDRKITFLT3
SCHEMBL14850201 0.86 IDH2 (0.38) IDH2ABL1KDRKITFLT3
SCHEMBL14305 0.86 IDH2 (0.38) IDH2ABL1KDRKITFLT3

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-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 IDH2 3459/4885ABL1 2715/4885KDR 4838/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT IDH2 3459/4885ABL1 2715/4885KDR 4838/4885

“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.