SCHEMBL14086

SCHEMBL14086

Cc1[nH]c(NC(=O)Nc2ccccc2OC(F)(F)F)nc(=O)c1CC(=O)N1CCN(CCCN)CC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
EPHX2 P34913 4/20 0.35
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 1/20 0.34
SIGMAR1 Q99720 2/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
ABL1 P00519 1/20 0.34
PDGFRB P09619 1/20 0.33
KDR P35968 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
SCHEMBL17486583 0.90 EPHX2 (0.39) SMN1; SMN2EPHX2ALDH1A1KMT2ASIGMAR1
SCHEMBL17354192 0.88 KMT2A (0.45) EPHX2KMT2ASIGMAR1MAPT
SCHEMBL14268 0.85 SIGMAR1 (0.37) SMN1; SMN2EPHX2ALDH1A1SIGMAR1POLB
SCHEMBL13541 0.80 HTR1A (0.38) KMT2A
SCHEMBL14191 0.78 GAA (0.36) SMN1; SMN2EPHX2ALDH1A1POLBMAPT
SCHEMBL14117 0.78 HTR1A (0.38) KMT2A
SCHEMBL13788 0.77 GBA1 (0.36) MAPTPDGFRBKDR
SCHEMBL13902 0.77 BACE1 (0.38)
SCHEMBL14103 0.75 P2RY1 (0.41) EPHX2
SCHEMBL13857 0.75 ALDH1A1 (0.38) SMN1; SMN2EPHX2ALDH1A1KMT2ASIGMAR1

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 SMN1; SMN2 3979/4885EPHX2 3041/4885ALDH1A1 1117/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT SMN1; SMN2 3979/4885EPHX2 3041/4885ALDH1A1 1117/4885

“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.