Sugi Predict

Sugi Predict / Compounds / SCHEMBL14226

SCHEMBL14226

SCHEMBL14226

CN(C)c1ccc(C(=O)Nc2ccn(CCCC(CCCNC(=N)N)NCCCN)c(=O)n2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 1/20 0.33
▸ HDAC1 Q13547 9/20 0.33
▸ HDAC10 Q969S8 8/20 0.33
▸ HDAC6 Q9UBN7 8/20 0.33
▸ HDAC8 Q9BY41 7/20 0.33
▸ HDAC3 O15379 6/20 0.33
▸ HDAC2 Q92769 6/20 0.33
▸ HDAC4 P56524 4/20 0.33
▸ HDAC7 Q8WUI4 4/20 0.33
▸ HDAC11 Q96DB2 4/20 0.33
▸ HDAC9 Q9UKV0 4/20 0.33
▸ HDAC5 Q9UQL6 4/20 0.33
▸ LTA4H P09960 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ RIN1 Q13671 1/20 0.32
▸ F10 P00742 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ POLB P06746 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
SCHEMBL13723 0.90 LMNA (0.36) F10MAPTLMNAF2PRSS1
SCHEMBL14244 0.90 HDAC3 (0.35) HDAC1HDAC10HDAC6HDAC8HDAC3
SCHEMBL13746 0.89 TAS1R3 (0.32) F10F2PRSS1PRSS2PRSS3
SCHEMBL14283 0.89 NPC1 (0.37) FLT3HDAC1HDAC3HDAC2ABL1
SCHEMBL13908 0.86 HDAC3 (0.39) FLT3HDAC1HDAC8HDAC3MAPT
SCHEMBL17485857 0.86 HDAC3 (0.39) FLT3HDAC1HDAC8HDAC3MAPT
SCHEMBL14853461 0.86 MAPT (0.41) ABL1RIN1MAPT
SCHEMBL13740 0.86 MAPT (0.32) ABL1RIN1MAPT
SCHEMBL14850184 0.85 DRD2 (0.33) FLT3ABL1RIN1
SCHEMBL13633 0.85 FLT3 (0.38) FLT3HDAC1HDAC10HDAC6HDAC8

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 FLT3 3005/4885HDAC1 2713/4885HDAC10 1962/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT FLT3 3005/4885HDAC1 2713/4885HDAC10 1962/4885

“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.