Sugi Predict

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SCHEMBL13907

SCHEMBL13907

N#Cc1ccc(NC(=O)Nc2nc(=O)c(-c3ccc(CN(CCCN)CCCNC(=N)N)cc3)c[nH]2)cc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SAE1 Q9UBE0 1/20 0.35
▸ UBA2 Q9UBT2 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP3A5 P20815 1/20 0.35
▸ KDM1A O60341 2/20 0.35
▸ NAMPT P43490 4/20 0.34
▸ RORC P51449 1/20 0.34
▸ CNR1 P21554 2/20 0.33
▸ EGLN1 Q9GZT9 1/20 0.33
▸ AKT1 P31749 3/20 0.33
▸ CCR3 P51677 1/20 0.32
▸ ROCK2 O75116 2/20 0.32
▸ IDO1 P14902 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
SCHEMBL17354208 0.90 KDR (0.39) CYP3A4KDM1ANAMPTCNR1ROCK2
SCHEMBL14024 0.87 IGF1R (0.34) CNR1
SCHEMBL13536 0.86 ACKR3 (0.33) —
SCHEMBL17354122 0.84 ACKR3 (0.33) —
SCHEMBL14850208 0.84 IKBKB (0.30) ROCK2
SCHEMBL17354204 0.83 ENPP2 (0.32) ROCK2
SCHEMBL17354177 0.83 KMT2A (0.34) —
SCHEMBL14853161 0.83 PARP1 (0.31) —
SCHEMBL14032 0.82 CNR1 (0.36) CYP3A4CNR1ROCK2
SCHEMBL17354273 0.82 CA2 (0.37) CYP3A4KDM1ACNR1

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 SAE1 3551/4885UBA2 3398/4885CYP3A4 1470/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT SAE1 3551/4885UBA2 3398/4885CYP3A4 1470/4885

“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.