SCHEMBL14161

SCHEMBL14161

NCCCNCc1ccc(-c2c[nH]c(NC(=O)Nc3cc(Cl)cc(Cl)c3)nc2=O)cc1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.35
IGF1R P08069 1/20 0.35
BDKRB1 P46663 5/20 0.35
PDCD1LG2 Q9BQ51 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
MAPT P10636 2/20 0.34
ALDH2 P05091 1/20 0.34
KDR P35968 2/20 0.34
CHEK1 O14757 2/20 0.34
ABL1 P00519 1/20 0.34
NTRK1 P04629 1/20 0.34
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
CSF1R P07333 1/20 0.34
LYN P07948 1/20 0.34
KIT P10721 1/20 0.34
SRC P12931 1/20 0.34
FLT1 P17948 1/20 0.34
FLT4 P35916 1/20 0.34
FLT3 P36888 1/20 0.34

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
SCHEMBL14010 0.92 ALDH2 (0.35) IGF1RBDKRB1PDCD1LG2CD274ALDH2
SCHEMBL13729 0.90 KMT2A (0.36) IGF1RBDKRB1PDCD1LG2CD274ALDH2
SCHEMBL13703 0.89 LYN (0.39) IGF1RBDKRB1MAPTKDRABL1
SCHEMBL13805 0.88 GCGR (0.36) PDCD1LG2CD274MAPTALDH2KDR
SCHEMBL13789 0.88 ALDH2 (0.35) IGF1RBDKRB1PDCD1LG2CD274ALDH2
SCHEMBL13618 0.88 ALDH2 (0.40) IGF1RBDKRB1PDCD1LG2CD274ALDH2
SCHEMBL17354191 0.88 KDR (0.40) BDKRB1KDRNTRK1LCKFYN
SCHEMBL17354141 0.88 KDR (0.36) CNR1KDRABL1NTRK1LCK
SCHEMBL14850233 0.88 RET (0.32) BDKRB1PDCD1LG2CD274ALDH2KDR
SCHEMBL17354295 0.88 CHEK1 (0.36) BDKRB1PDCD1LG2CD274ALDH2KDR

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 CNR1 4516/4885IGF1R 4795/4885BDKRB1 3258/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT CNR1 4516/4885IGF1R 4795/4885BDKRB1 3258/4885

“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.