SCHEMBL11237

SCHEMBL11237

CC1CCC(C(=O)NCCCNC(=N)N)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.44
ALB P02768 1/20 0.42
GNAI3 P08754 2/20 0.41
GNAO1 P09471 2/20 0.41
GNAI1 P63096 2/20 0.41
POLB P06746 1/20 0.38
TSHR P16473 3/20 0.38
F2 P00734 1/20 0.37
PLG P00747 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
ST14 Q9Y5Y6 1/20 0.37
USP2 O75604 1/20 0.37
CYP3A4 P08684 2/20 0.37
GAA P10253 1/20 0.37
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 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
SCHEMBL12216 0.93 POLB (0.40) NAAAALBGNAI3GNAO1GNAI1
SCHEMBL11981715 0.84 ALB (0.46) NAAAALBGNAI3GNAO1GNAI1
SCHEMBL20614275 0.83 NAAA (0.58) NAAAALBGAAKEAP1NFE2L2
SCHEMBL20900508 0.83 NAAA (0.41) NAAAALBGNAI3GNAO1GNAI1
SCHEMBL11960436 0.83 SMN1; SMN2 (0.42) NAAAALBGNAI3GNAO1GNAI1
SCHEMBL24982662 0.81 NAAA (0.51) NAAAGNAI3GNAO1GNAI1POLB
SCHEMBL15431471 0.80 NAAA (0.49) NAAAGNAI3GNAO1GNAI1POLB
SCHEMBL19093034 0.80 NAAA (0.62) NAAAGNAI3GNAO1GNAI1GAA
SCHEMBL18531831 0.79 NAAA (0.38) NAAAALBGNAI3GNAO1GNAI1
SCHEMBL11981485 0.77 ALB (0.42) NAAAALBGNAI3GNAO1GNAI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 NAAA 193/4885ALB 2760/4885GNAI3 3618/4885
US-20170320892-A1 Antimicrobial Compounds And Methods Of Making And Using The Same LPO, MPO, CAT NAAA 193/4885ALB 2760/4885GNAI3 3618/4885

“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.