Sugi Predict

Sugi Predict / Compounds / SCHEMBL13832

SCHEMBL13832

SCHEMBL13832

CN(C)C(=O)CN1CCN(c2ccc(NC(=O)Nc3nc(=O)c(-c4ccc(CN(CCCN)CCCN)cc4)c[nH]3)cc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 1/20 0.35
▸ REV1 Q9UBZ9 3/20 0.34
▸ HTR1A P08908 3/20 0.33
▸ DRD2 P14416 3/20 0.33
▸ PIK3CA P42336 3/20 0.33
▸ MTOR P42345 3/20 0.33
▸ AKT1 P31749 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ ENPP2 Q13822 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CYP11B2 P19099 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
SCHEMBL17354158 0.93 ROCK1 (0.34) ROCK1REV1HTR1ADRD2PIK3CA
SCHEMBL14850182 0.91 HTR1A (0.37) ROCK1HTR1ADRD2PIK3CAMTOR
SCHEMBL14850175 0.90 JAK3 (0.41) ROCK1PIK3CAMTOR
SCHEMBL13928 0.84 PIK3CA (0.38) PIK3CAMTOR
SCHEMBL17485859 0.83 PIK3CA (0.38) PIK3CAMTOR
SCHEMBL14198 0.82 CNR1 (0.38) DRD2ESR2GAATP53MAPT
SCHEMBL14850173 0.79 KDR (0.41) ROCK1MTOR
SCHEMBL13842 0.78 KDR (0.39) ROCK1AKT1
SCHEMBL17354193 0.77 KDR (0.42) ROCK1AKT1
SCHEMBL17354208 0.76 KDR (0.39) ROCK1

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 ROCK1 2911/4885REV1 176/4885HTR1A 4608/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT ROCK1 2911/4885REV1 176/4885HTR1A 4608/4885

“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.