SCHEMBL14268

SCHEMBL14268

NCCCN1CCN(C(=O)Cc2c[nH]c(NC(=O)Nc3ccccc3OC(F)(F)F)nc2=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
EPHX2 P34913 8/20 0.35
CHRM3 P20309 1/20 0.34
NTRK1 P04629 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33

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 0.91 GAA (0.36) SMN1; SMN2EPHX2CHRM3NTRK1ALDH1A1
SCHEMBL17486582 0.90 EPHX2 (0.38) SIGMAR1SMN1; SMN2EPHX2CHRM3ALDH1A1
SCHEMBL13857 0.90 ALDH1A1 (0.38) SIGMAR1SMN1; SMN2EPHX2ALDH1A1MAPT
SCHEMBL14269 0.86 CXCR2 (0.41) EPHX2NTRK1POLB
SCHEMBL13541 0.86 HTR1A (0.38)
SCHEMBL17354347 0.86 KMT2A (0.44) SIGMAR1EPHX2ALDH1A1MAPT
SCHEMBL14086 0.85 SMN1; SMN2 (0.38) SIGMAR1SMN1; SMN2EPHX2ALDH1A1POLB
SCHEMBL17485862 0.84 EGFR (0.36) EPHX2
SCHEMBL13684 0.84 EGFR (0.36) EPHX2
SCHEMBL14117 0.83 HTR1A (0.38) CHRM3

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 SIGMAR1 3381/4885SMN1; SMN2 3979/4885EPHX2 3041/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT SIGMAR1 3381/4885SMN1; SMN2 3979/4885EPHX2 3041/4885

“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.