SCHEMBL12062201

SCHEMBL12062201

N=C(N)NCCCNCc1ccc(-n2cc3cc(-c4cccc(OCCCN)c4)[nH]c3nc2=O)cc1F

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.32
CSF1R P07333 1/20 0.32
PARP1 P09874 1/20 0.31
HDAC1 Q13547 2/20 0.31
PDCD1 Q15116 2/20 0.31
CD274 Q9NZQ7 2/20 0.31
HDAC6 Q9UBN7 2/20 0.31

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
SCHEMBL20082539 0.87 SRC (0.34) EGFRPARP1HDAC1HDAC6
SCHEMBL12062128 0.85 SRC (0.38) EGFRPARP1
SCHEMBL13966 0.85 SRC (0.38) EGFRPARP1
SCHEMBL14568 0.84 F10 (0.41)
SCHEMBL17277137 0.84 TLR7 (0.36) EGFR
SCHEMBL14300 0.84 EGFR (0.34) EGFRHDAC1HDAC6
SCHEMBL14477 0.83 SRC (0.35) EGFR
SCHEMBL14566 0.82 TLR7 (0.34) EGFR
SCHEMBL12062172 0.82 ABL1 (0.35) EGFR
SCHEMBL14216 0.82 CHEK2 (0.39) EGFRHDAC1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488525-B1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MELINTA THERAPEUTICS INC (US) 2018-04-25 EP disclosed
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2016-02-04 US disclosed
US-9193731-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-11-24 US disclosed
US-9193731-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-11-24 US disclosed
US-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2012-08-30 US disclosed
US-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2012-08-30 US 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-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT EGFR 4722/4885CSF1R 2254/4885PARP1 1324/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT EGFR 4722/4885CSF1R 2254/4885PARP1 1324/4885

“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.