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.

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