SCHEMBL14082

SCHEMBL14082

NCCCC[C@@H](N)CCn1ccc(N)nc1=O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 5/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
EP300 Q09472 11/20 0.34
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
MTOR P42345 1/20 0.33
MDM2 Q00987 1/20 0.33
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
CYP2D6 P10635 1/20 0.32
DNMT1 P26358 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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 0.90 FGFR1 (0.39) FGFR1SLC22A6EP300LMNATHRB
SCHEMBL8840764 0.84 FGFR1 (0.41) FGFR1SLC22A6EP300CYP2D6DNMT1
SCHEMBL1532184 0.82 FGFR1 (0.42) FGFR1SLC22A6EP300LMNATHRB
SCHEMBL13596 0.81 FGFR1 (0.43) FGFR1SLC22A6EP300LMNATHRB
SCHEMBL6379845 0.78 FGFR1 (0.43) FGFR1SLC22A6EP300LMNATHRB
SCHEMBL23343373 0.77 FGFR1 (0.44) FGFR1SLC22A6EP300LMNATHRB
SCHEMBL6268992 0.76 FGFR1 (0.46) FGFR1SLC22A6EP300LMNATHRB
SCHEMBL13223807 0.75 FGFR1 (0.40) FGFR1SLC22A6EP300CYP2D6DNMT1
SCHEMBL20012082 0.74 FGFR1 (0.41) FGFR1SLC22A6EP300LMNATHRB
SCHEMBL13947 0.73 EP300 (0.36) FGFR1SLC22A6EP300

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 FGFR1 4866/4885SLC22A6 2556/4885EP300 2195/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT FGFR1 4866/4885SLC22A6 2556/4885EP300 2195/4885

“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.