Sugi Predict

Sugi Predict / Compounds / SCHEMBL13944

SCHEMBL13944

SCHEMBL13944

N=C(N)CCCOc1cccc(-c2cc3cn(-c4ccc(CN)cc4)c(=O)nc3[nH]2)c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 10/20 0.35
▸ HDAC4 P56524 10/20 0.35
▸ HDAC1 Q13547 10/20 0.35
▸ HDAC7 Q8WUI4 10/20 0.35
▸ HDAC2 Q92769 10/20 0.35
▸ HDAC10 Q969S8 10/20 0.35
▸ HDAC11 Q96DB2 10/20 0.35
▸ HDAC8 Q9BY41 10/20 0.35
▸ HDAC6 Q9UBN7 10/20 0.35
▸ HDAC9 Q9UKV0 10/20 0.35
▸ HDAC5 Q9UQL6 10/20 0.35
▸ PDE3B Q13370 2/20 0.34
▸ PDE3A Q14432 2/20 0.34
▸ P2RY12 Q9H244 1/20 0.34
▸ CDC7 O00311 1/20 0.33
▸ ADORA2A P29274 1/20 0.32
▸ ADORA2B P29275 1/20 0.32
▸ PARP1 P09874 1/20 0.32
▸ MAPKAPK2 P49137 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
SCHEMBL12062177 0.91 EGFR (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14187 0.90 IKBKB (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14156 0.89 PDE2A (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14166 0.89 DRD2 (0.36) CDC7ADORA2AADORA2B
SCHEMBL13916 0.89 PDE3B (0.35) PDE3BPDE3AP2RY12ADORA2AADORA2B
SCHEMBL14038 0.88 GSK3B (0.37) CDC7ADORA2AADORA2BMAPKAPK2
SCHEMBL14300 0.88 EGFR (0.34) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14423 0.86 KLKB1 (0.39) ADORA2AADORA2B
SCHEMBL12062075 0.85 PDE2A (0.35) PDE3BPDE3AP2RY12ADORA2AADORA2B
SCHEMBL14136 0.85 PDE3B (0.40) PDE3BPDE3AP2RY12CDC7

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488525-B1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MELINTA THERAPEUTICS INC (US) 2018-04-25 — — EP disclosed
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2016-02-04 — — US disclosed
US-9193731-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-11-24 — — US disclosed
US-9193731-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-11-24 — — US disclosed
US-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2012-08-30 — — US disclosed
US-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2012-08-30 — — US disclosed
WO-2011047319-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-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT HDAC3 2555/4885HDAC4 2407/4885HDAC1 2713/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT HDAC3 2555/4885HDAC4 2407/4885HDAC1 2713/4885

“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.