SCHEMBL13988

SCHEMBL13988

N=C(N)NCCCN(CCCN)Cc1ccc(-c2c[nH]c(NC(=O)NCCc3ccc(F)cc3)nc2=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.36
CA9 Q16790 2/20 0.36
CNR1 P21554 1/20 0.33
MCHR1 Q99705 1/20 0.33
ROCK1 Q13464 2/20 0.33
ACKR3 P25106 3/20 0.32
FPR2 P25090 1/20 0.32
CA1 P00915 3/20 0.32
CA4 P22748 2/20 0.32
CA12 O43570 2/20 0.32
KMT2A Q03164 2/20 0.31
CA7 P43166 1/20 0.31
HAT1 O14929 1/20 0.31
EP300 Q09472 1/20 0.31
RAB9A P51151 2/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
ROCK2 O75116 1/20 0.30
PRMT3 O60678 1/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL14032 0.92 CNR1 (0.36) CA2CA9CNR1MCHR1ROCK1
SCHEMBL17354273 0.92 CA2 (0.37) CA2CA9CNR1ACKR3CA1
SCHEMBL14007 0.89 RAF1 (0.36) CA2CA1HAT1EP300MAPT
SCHEMBL14088 0.88 CNR1 (0.38) CNR1ACKR3KMT2AHAT1EP300
SCHEMBL17354297 0.88 CNR1 (0.36) CNR1ROCK1ACKR3KMT2ARAB9A
SCHEMBL13612 0.87 CNR1 (0.32) CNR1ACKR3
SCHEMBL13536 0.87 ACKR3 (0.33) ACKR3
SCHEMBL17354356 0.87 RAF1 (0.35) CA2CA9CNR1CA4
SCHEMBL14850208 0.86 IKBKB (0.30) ROCK2
SCHEMBL14152 0.86 CNR1 (0.38) CNR1MCHR1KMT2AHAT1EP300

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 CA2 3230/4885CA9 2937/4885CNR1 4516/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT CA2 3230/4885CA9 2937/4885CNR1 4516/4885

“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.