SCHEMBL13888

SCHEMBL13888

Cn1cc2cc(-c3ccc(C(=O)NC4CCNCC4)cc3)[nH]c2nc1=O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.53
DHODH Q02127 1/20 0.46
HDAC4 P56524 2/20 0.45
HDAC6 Q9UBN7 1/20 0.45
SMYD3 Q9H7B4 4/20 0.44
SUV39H2 Q9H5I1 3/20 0.44
KDM1A O60341 1/20 0.44
KHK P50053 2/20 0.42
MAPKAPK2 P49137 3/20 0.41
HPGDS O60760 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
EGLN1 Q9GZT9 1/20 0.39

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
SCHEMBL14513 0.81 RIPK1 (0.46) RIPK1DHODHHDAC4HDAC6SMYD3
SCHEMBL14512 0.76 RIPK1 (0.41) RIPK1DHODHHDAC4HDAC6SMYD3
SCHEMBL14507 0.75 RIPK1 (0.39) RIPK1DHODHHDAC4HDAC6SMYD3
SCHEMBL13865 0.75 RIPK1 (0.40) RIPK1DHODHHDAC4HDAC6SMYD3
SCHEMBL14436 0.74 RIPK1 (0.39) RIPK1DHODHHDAC4HDAC6SMYD3
SCHEMBL14232 0.73 RIPK1 (0.39) RIPK1DHODHHDAC4HDAC6SMYD3
SCHEMBL14514 0.73 RIPK1 (0.37) RIPK1DHODHHDAC4HDAC6SMYD3
SCHEMBL14330 0.73 RIPK1 (0.38) RIPK1DHODHHDAC4HDAC6SMYD3
SCHEMBL13886 0.72 ADORA2A (0.49)
SCHEMBL15219421 0.69 KDM5A (0.51) HDAC4HDAC6SMYD3KHKHPGDS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2895/4885DHODH 516/4885HDAC4 2407/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT RIPK1 2895/4885DHODH 516/4885HDAC4 2407/4885

“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.