SCHEMBL14137

SCHEMBL14137

NCCCNCc1ccc(-n2ccc(N)nc2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MC4R P32245 2/20 0.42
MC5R P33032 2/20 0.42
MC3R P41968 1/20 0.42
ROCK2 O75116 4/20 0.41
KAT2B Q92831 1/20 0.36
IL6 P05231 2/20 0.34
TLR7 Q9NYK1 2/20 0.34
PARP1 P09874 1/20 0.33
NOS1 P29475 2/20 0.33
MCHR1 Q99705 1/20 0.33
ABL1 P00519 1/20 0.32
EGFR P00533 1/20 0.32
CDK1 P06493 1/20 0.32
SRC P12931 1/20 0.32
CSK P41240 1/20 0.32
ABL2 P42684 1/20 0.32
CHRM2 P08172 3/20 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
SCHEMBL21674409 0.81 CA1 (0.48) ROCK2NOS1CHRM2
SCHEMBL14130 0.81 MC4R (0.37) MC4RMC5RMC3RKAT2BPARP1
SCHEMBL13630 0.80 MC4R (0.40) MC4RMC5RMC3RROCK2KAT2B
SCHEMBL13954 0.76 MC4R (0.39) MC4RMC5RMC3RKAT2BIL6
SCHEMBL22254230 0.76 ROCK2 (0.44) ROCK2
SCHEMBL14373 0.75 ROCK2 (0.41) ROCK2
SCHEMBL22254200 0.75 PARP1 (0.40) ROCK2PARP1NOS1
SCHEMBL22248696 0.74 ROCK2 (0.43) ROCK2PARP1MCHR1
SCHEMBL22248940 0.73 ROCK2 (0.41) ROCK2
SCHEMBL15787201 0.73 MC4R (0.39) MC4RMC5RMC3RKAT2BIL6

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 MC4R 2989/4885MC5R 3036/4885MC3R 3163/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT MC4R 2989/4885MC5R 3036/4885MC3R 3163/4885

“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.