SCHEMBL11482

SCHEMBL11482

CC1CCC(NCCCNC(=N)N)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
RECQL P46063 1/20 0.34
ALOX15 P16050 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
ALB P02768 1/20 0.33
F2 P00734 1/20 0.32
PLG P00747 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
ST14 Q9Y5Y6 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 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
SCHEMBL11504 0.83 ALB (0.36) CXCR4MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL10310279 0.82 CXCR4 (0.53) CXCR4MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL18531827 0.82 CXCR4 (0.34) CXCR4MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL19571303 0.82 MEN1 (0.38) CXCR4MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL11981707 0.81 ALB (0.35) CXCR4MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL18531832 0.81 ALB (0.35) CXCR4MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL11236 0.78 SAT1 (0.49) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL11237 0.77 NAAA (0.44) POLBALBF2PLGPRSS1
SCHEMBL22462391 0.75 GNAI3 (0.48) ALDH1A1POLBRECQLKDM4ETSHR
SCHEMBL31005071 0.74 SQLE (0.42) MEN1CYP1A2KMT2ASMN1; SMN2ALDH1A1

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
EP-3421476-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME Melinta Therapeutics, Inc. (US) 2019-01-02 EP disclosed
US-20170320892-A1 Antimicrobial Compounds And Methods Of Making And Using The Same SILICON VALLEY BANK 2017-11-09 US disclosed
US-9573962-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2017-02-21 US disclosed
US-20150274752-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2015-10-01 US disclosed
US-9023843-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-05-05 US disclosed
WO-2011047320-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-20150274752-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME LPO, MPO, CAT CXCR4 2733/4885MEN1 3022/4885CYP1A2 1470/4885
US-20170320892-A1 Antimicrobial Compounds And Methods Of Making And Using The Same LPO, MPO, CAT CXCR4 2733/4885MEN1 3022/4885CYP1A2 1470/4885

“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.