SCHEMBL13689

SCHEMBL13689

O=C(Nc1nc(=O)c(CCN2CCNCC2)c[nH]1)Nc1ccccc1OC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 4/20 0.41
EPHX2 P34913 3/20 0.40
NTRK1 P04629 1/20 0.39
CCR3 P51677 1/20 0.36
GBA1 P04062 1/20 0.36
P2RY1 P47900 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
IDH2 P48735 1/20 0.35
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
DRD2 P14416 2/20 0.34
SLC6A3 Q01959 2/20 0.34
CYP2D6 P10635 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
KCNH2 Q12809 1/20 0.34
KDR P35968 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
SCHEMBL14191 0.89 GAA (0.36) CXCR2EPHX2NTRK1CCR3GBA1
SCHEMBL17486547 0.89 EPHX2 (0.44) EPHX2CCR3P2RY1SMN1; SMN2POLB
SCHEMBL14269 0.86 CXCR2 (0.41) CXCR2EPHX2NTRK1GBA1P2RY1
SCHEMBL13604 0.86 DPP4 (0.38) CXCR2EPHX2NTRK1CCR3P2RY1
SCHEMBL14850229 0.85 GAA (0.40) CCR3SMN1; SMN2MAPTDRD2CYP2D6
SCHEMBL17354330 0.84 KMT2A (0.46) MAPT
SCHEMBL17354495 0.82 CHRM4 (0.38) CXCR2EPHX2CCR3P2RY1KCNH2
SCHEMBL14850218 0.82 CHRM4 (0.38) CXCR2EPHX2CCR3P2RY1KCNH2
SCHEMBL14268 0.80 SIGMAR1 (0.37) EPHX2NTRK1SMN1; SMN2POLBMAPT
SCHEMBL13541 0.79 HTR1A (0.38) DRD2

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 CXCR2 2105/4885EPHX2 3041/4885NTRK1 4851/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT CXCR2 2105/4885EPHX2 3041/4885NTRK1 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.