SCHEMBL13947

SCHEMBL13947

Nc1ccn(CCC[C@@H](N)CCCOCc2ccccc2)c(=O)n1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 7/20 0.36
GPR39 O43194 1/20 0.36
FGFR1 P11362 4/20 0.35
MPO P05164 1/20 0.35
TPO P07202 1/20 0.35
CYP3A4 P08684 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
ABL1 P00519 1/20 0.35
RIN1 Q13671 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
TEAD3 Q99594 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
SCHEMBL13811 0.79 FGFR1 (0.39) EP300FGFR1SLC22A6
SCHEMBL13596 0.78 FGFR1 (0.43) EP300FGFR1SLC22A6
SCHEMBL17554285 0.73 EP300 (0.44) EP300
SCHEMBL23343373 0.72 FGFR1 (0.44) EP300FGFR1SLC22A6
SCHEMBL8743549 0.72 MAOA (0.35) EP300FGFR1MPOTPOCYP3A4
SCHEMBL9652263 0.71 FGFR1 (0.43) EP300FGFR1CYP3A4SLC22A6
SCHEMBL2152988 0.70 FGFR1 (0.41) EP300FGFR1SLC22A6
SCHEMBL20012082 0.70 FGFR1 (0.41) EP300FGFR1SLC22A6
SCHEMBL248682 0.70 EP300 (0.49) EP300
SCHEMBL18873461 0.69 FGFR1 (0.44) EP300FGFR1SLC22A6

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 EP300 2195/4885GPR39 4844/4885FGFR1 4866/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT EP300 2195/4885GPR39 4844/4885FGFR1 4866/4885

“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.