SCHEMBL14513

SCHEMBL14513

NCc1ccc(-n2cc3cc(-c4ccc(C(=O)NC5CCNCC5)cc4)[nH]c3nc2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.46
HDAC4 P56524 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
SMYD3 Q9H7B4 4/20 0.40
SUV39H1 O43463 1/20 0.40
PRMT1 Q99873 1/20 0.40
DHODH Q02127 1/20 0.39
KHK P50053 3/20 0.39
IKBKB O14920 1/20 0.38
SUV39H2 Q9H5I1 2/20 0.38
PRSS1 P07477 2/20 0.38
PRSS2 P07478 2/20 0.38
PRSS3 P35030 2/20 0.38
ST14 Q9Y5Y6 2/20 0.38
FLT3 P36888 1/20 0.36
JAK2 O60674 2/20 0.36
BRD4 O60885 2/20 0.36
MAPKAPK2 P49137 1/20 0.36
F2 P00734 1/20 0.36
CHEK2 O96017 1/20 0.36

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
SCHEMBL14512 0.90 RIPK1 (0.41) RIPK1HDAC4HDAC6SMYD3DHODH
SCHEMBL13865 0.88 RIPK1 (0.40) RIPK1HDAC4HDAC6SMYD3DHODH
SCHEMBL14306 0.87 CDK2 (0.38) RIPK1SMYD3SUV39H1PRMT1DHODH
SCHEMBL14232 0.85 RIPK1 (0.39) RIPK1HDAC4HDAC6SMYD3DHODH
SCHEMBL14330 0.84 RIPK1 (0.38) RIPK1HDAC4HDAC6SMYD3DHODH
SCHEMBL14436 0.84 RIPK1 (0.39) RIPK1HDAC4HDAC6SMYD3DHODH
SCHEMBL13804 0.83 RIPK1 (0.37) RIPK1HDAC4HDAC6SMYD3DHODH
SCHEMBL14057 0.83 RIPK1 (0.36) RIPK1HDAC4HDAC6SMYD3DHODH
SCHEMBL14514 0.82 RIPK1 (0.37) RIPK1HDAC4HDAC6SMYD3DHODH
SCHEMBL13888 0.81 RIPK1 (0.53) RIPK1HDAC4HDAC6SMYD3DHODH

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 2895/4885HDAC4 2407/4885HDAC6 1089/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT RIPK1 2895/4885HDAC4 2407/4885HDAC6 1089/4885

“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.