SCHEMBL14191

SCHEMBL14191

NCCCN1CCN(CCc2c[nH]c(NC(=O)Nc3ccccc3OC(F)(F)F)nc2=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
CHRM3 P20309 1/20 0.35
NTRK1 P04629 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
CCR3 P51677 1/20 0.35
GBA1 P04062 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CXCR2 P25025 1/20 0.34
EPHX2 P34913 3/20 0.34
KIT P10721 1/20 0.34
KDR P35968 1/20 0.34
FLT3 P36888 1/20 0.34
P2RY1 P47900 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
SCHEMBL14268 0.91 SIGMAR1 (0.37) CHRM3NTRK1ALDH1A1SMN1; SMN2POLB
SCHEMBL13541 0.90 HTR1A (0.38) GAAL3MBTL1
SCHEMBL17486548 0.89 EPHX2 (0.38) CHRM3ALDH1A1SMN1; SMN2CCR3L3MBTL1
SCHEMBL14850229 0.89 GAA (0.40) GAAALDH1A1SMN1; SMN2MAPTCCR3
SCHEMBL13689 0.89 CXCR2 (0.41) NTRK1SMN1; SMN2POLBMAPTCCR3
SCHEMBL14117 0.88 HTR1A (0.38) GAACHRM3
SCHEMBL13788 0.87 GBA1 (0.36) GAAMAPTGBA1KDR
SCHEMBL14850218 0.87 CHRM4 (0.38) CCR3CXCR2EPHX2P2RY1
SCHEMBL17354495 0.87 CHRM4 (0.38) CCR3CXCR2EPHX2P2RY1
SCHEMBL13902 0.87 BACE1 (0.38) GAACHRM3

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 GAA 934/4885CHRM3 4421/4885NTRK1 4851/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT GAA 934/4885CHRM3 4421/4885NTRK1 4851/4885

“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.