SCHEMBL13632

SCHEMBL13632

NCCCNCc1ccc(-n2cc(F)c(NC(N)=O)nc2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.39
MC4R P32245 2/20 0.38
MC5R P33032 2/20 0.38
MC3R P41968 1/20 0.38
KAT2B Q92831 1/20 0.36
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
ABCB1 P08183 1/20 0.33
PARP2 Q9UGN5 2/20 0.32
PARP3 Q9Y6F1 2/20 0.32
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
CHRM2 P08172 1/20 0.32
NTRK1 P04629 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
SCHEMBL13630 0.82 MC4R (0.40) PARP1MC4RMC5RMC3RKAT2B
SCHEMBL14130 0.81 MC4R (0.37) PARP1MC4RMC5RMC3RKAT2B
SCHEMBL13954 0.76 MC4R (0.39) PARP1MC4RMC5RMC3RKAT2B
SCHEMBL12075768 0.74 MC4R (0.38) PARP1MC4RMC5RMC3RKAT2B
SCHEMBL15787201 0.73 MC4R (0.39) PARP1MC4RMC5RMC3RKAT2B
SCHEMBL17484492 0.73 MC4R (0.39) PARP1MC4RMC5RMC3RKAT2B
SCHEMBL14503 0.73 MC4R (0.35) PARP1MC4RMC5RMC3RKAT2B
SCHEMBL14309 0.73 MC4R (0.35) PARP1MC4RMC5RMC3RKAT2B
SCHEMBL14137 0.72 MC4R (0.42) PARP1MC4RMC5RMC3RKAT2B
SCHEMBL13822 0.72 MC4R (0.38) PARP1MC4RMC5RMC3RKAT2B

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 PARP1 1324/4885MC4R 2989/4885MC5R 3036/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT PARP1 1324/4885MC4R 2989/4885MC5R 3036/4885

“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.