SCHEMBL12216

SCHEMBL12216

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
NAAA Q02083 1/20 0.39
F2 P00734 1/20 0.39
PLG P00747 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
ST14 Q9Y5Y6 1/20 0.39
ALB P02768 1/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.37
OPRM1 P35372 1/20 0.36
GNAI3 P08754 2/20 0.36
GNAO1 P09471 2/20 0.36
GNAI1 P63096 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.34

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
SCHEMBL11237 0.93 NAAA (0.44) POLBNAAAF2PLGPRSS1
SCHEMBL11981485 0.83 ALB (0.42) NAAAALBKMT2AALDH1A1OPRM1
SCHEMBL18531829 0.82 GLA (0.43) NAAAALBKMT2AALDH1A1SMN1; SMN2
SCHEMBL15624763 0.80 GNAI3 (0.45) KMT2AALDH1A1GNAI3GNAO1GNAI1
SCHEMBL19309554 0.79 GNAI3 (0.54) POLBNAAAF2ALBALDH1A1
SCHEMBL16727379 0.78 NAAA (0.43) POLBNAAAKMT2AALDH1A1OPRM1
SCHEMBL15199112 0.78 NAAA (0.51) POLBNAAAKMT2AALDH1A1GNAI3
SCHEMBL14327357 0.78 NAAA (0.43) POLBNAAAKMT2AALDH1A1OPRM1
SCHEMBL12224196 0.78 NAAA (0.51) POLBNAAAKMT2AALDH1A1GNAI3
SCHEMBL17208374 0.78 NAAA (0.51) POLBNAAAKMT2AALDH1A1GNAI3

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 POLB 492/4885NAAA 193/4885F2 2021/4885
US-20170320892-A1 Antimicrobial Compounds And Methods Of Making And Using The Same LPO, MPO, CAT POLB 492/4885NAAA 193/4885F2 2021/4885

“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.