Sugi Predict

Sugi Predict / Compounds / SCHEMBL14512

SCHEMBL14512

SCHEMBL14512

NCCCNCc1ccc(-n2cc3cc(-c4ccc(C(=O)NC5CCNCC5)cc4)[nH]c3nc2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 1/20 0.41
▸ IKBKB O14920 2/20 0.37
▸ SUV39H2 Q9H5I1 2/20 0.37
▸ HDAC4 P56524 2/20 0.36
▸ HDAC6 Q9UBN7 2/20 0.36
▸ DHODH Q02127 1/20 0.36
▸ KHK P50053 2/20 0.36
▸ SMYD3 Q9H7B4 3/20 0.35
▸ MAPK14 Q16539 2/20 0.34
▸ MAPK11 Q15759 1/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC10 Q969S8 1/20 0.34
▸ HDAC11 Q96DB2 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC9 Q9UKV0 1/20 0.34
▸ HDAC5 Q9UQL6 1/20 0.34
▸ FLT3 P36888 1/20 0.34

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
SCHEMBL14232 0.90 RIPK1 (0.39) RIPK1IKBKBSUV39H2HDAC4HDAC6
SCHEMBL14513 0.90 RIPK1 (0.46) RIPK1IKBKBSUV39H2HDAC4HDAC6
SCHEMBL13804 0.89 RIPK1 (0.37) RIPK1IKBKBSUV39H2HDAC4HDAC6
SCHEMBL14514 0.88 RIPK1 (0.37) RIPK1IKBKBSUV39H2HDAC4HDAC6
SCHEMBL13865 0.88 RIPK1 (0.40) RIPK1IKBKBSUV39H2HDAC4HDAC6
SCHEMBL14330 0.87 RIPK1 (0.38) RIPK1IKBKBSUV39H2HDAC4HDAC6
SCHEMBL14735 0.85 KIT (0.39) IKBKB
SCHEMBL14436 0.85 RIPK1 (0.39) RIPK1IKBKBSUV39H2HDAC4HDAC6
SCHEMBL14026 0.85 CCNA2 (0.35) RIPK1DHODHKHKNTRK1
SCHEMBL13856 0.83 KLKB1 (0.38) IKBKBKHKSMYD3NTRK1

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 RIPK1 2895/4885IKBKB 2574/4885SUV39H2 2817/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT RIPK1 2895/4885IKBKB 2574/4885SUV39H2 2817/4885

“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.