SCHEMBL14130

SCHEMBL14130

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

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MC4R P32245 2/20 0.37
MC5R P33032 2/20 0.37
MC3R P41968 1/20 0.37
PARP1 P09874 2/20 0.36
KAT2B Q92831 1/20 0.35
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
PRSS1 P07477 1/20 0.32
OPRM1 P35372 2/20 0.32
OPRK1 P41145 2/20 0.32
OPRD1 P41143 1/20 0.32
OPRL1 P41146 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PARP2 Q9UGN5 1/20 0.31
PARP3 Q9Y6F1 1/20 0.31
HDAC1 Q13547 1/20 0.31
KDM6B O15054 1/20 0.31
KDM4A O75164 1/20 0.31
KDM2A Q9Y2K7 1/20 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
SCHEMBL14850154 0.83 PLAU (0.34) F2F10PRSS1
SCHEMBL14199 0.81 ABL1 (0.32)
SCHEMBL14137 0.81 MC4R (0.42) MC4RMC5RMC3RPARP1KAT2B
SCHEMBL13911 0.81 F10 (0.38) F2F10PRSS1HDAC1
SCHEMBL13632 0.81 PARP1 (0.39) MC4RMC5RMC3RPARP1KAT2B
SCHEMBL20649072 0.79 SPHK1 (0.37) OPRM1OPRK1OPRL1HDAC1
SCHEMBL14172 0.79
SCHEMBL14850158 0.78
SCHEMBL20649070 0.78 EPHX2 (0.35) OPRM1OPRK1OPRL1HDAC1
SCHEMBL20648912 0.78 HDAC1 (0.34) HDAC1

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.