SCHEMBL14389

SCHEMBL14389

N=C(N)NCCCNC(=O)c1ccc(-n2cc3cc(C4CCCN(C(=N)N)C4)[nH]c3nc2=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.37
CXCR4 P61073 1/20 0.34
DPP4 P27487 8/20 0.34
TPSAB1 Q15661 1/20 0.33
ITGB3 P05106 2/20 0.33
ITGA2B P08514 2/20 0.33
CASR P41180 1/20 0.32
F9 P00740 1/20 0.32
FLT3 P36888 2/20 0.32
F10 P00742 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
SCHEMBL14202 0.88 CYP1A2 (0.33) CXCR4
SCHEMBL14461 0.87 ACP1 (0.36) CXCR4F9
SCHEMBL14231 0.84 KIT (0.32) CXCR4
SCHEMBL12062309 0.79 CCNT1 (0.34) CXCR4
SCHEMBL13627 0.79 F9 (0.38) KMT2AITGB3ITGA2BF9F10
SCHEMBL14377 0.78 CCNT1 (0.34) KMT2ACXCR4
SCHEMBL13913 0.78 CCNT1 (0.36)
SCHEMBL14559 0.78 CCNT1 (0.35)
SCHEMBL14476 0.78 KDM4E (0.34)
SCHEMBL14375 0.78 CCNT1 (0.34)

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 KMT2A 4518/4885CXCR4 2740/4885DPP4 430/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT KMT2A 4518/4885CXCR4 2740/4885DPP4 430/4885

“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.