SCHEMBL626355

SCHEMBL626355

NCCCNCc1cc(Cl)cc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.50
MC4R P32245 2/20 0.50
MC5R P33032 2/20 0.50
MC3R P41968 1/20 0.50
MARS1 P56192 5/20 0.44
KAT2B Q92831 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CASP2 P42575 2/20 0.41
CA12 O43570 2/20 0.41
F13A1 P00488 2/20 0.41
CA2 P00918 2/20 0.41
CYP1A2 P05177 2/20 0.41
ALOX15 P16050 2/20 0.41
CA4 P22748 2/20 0.41
CA6 P23280 2/20 0.41
CA5A P35218 2/20 0.41
THPO P40225 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41

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
SCHEMBL625484 0.96 CHRM2 (0.51) CHRM2MC4RMC5RMC3RMARS1
SCHEMBL625986 0.92 CHRM2 (0.56) CHRM2MC4RMC5RMC3RMARS1
SCHEMBL626270 0.92 CHRM2 (0.56) CHRM2MC4RMC5RMC3RMARS1
SCHEMBL6875413 0.92 CHRM2 (0.56) CHRM2MC4RMC5RMC3RMARS1
SCHEMBL626377 0.92 CHRM2 (0.56) CHRM2MC4RMC5RMC3RMARS1
SCHEMBL625735 0.92 CHRM2 (0.48) CHRM2MC4RMC5RMC3RMARS1
SCHEMBL16151783 0.85 MC4R (0.58) CHRM2MC4RMC5RMC3RKAT2B
Hydrochloric Acid SCHEMBL29778318 0.83 MC4R (0.56) CHRM2MC4RMC5RMC3RKAT2B
SCHEMBL10909031 0.82 CHRM2 (0.77) CHRM2MC4RMC5RMC3RCYP1A2
SCHEMBL16435203 0.81 MC4R (0.55) MC4RMC5RMC3RSMN1; SMN2CASP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9192569-B2 Formulations for infusion of type B lantibiotics NOVACTA BIOSYSTEMS LIMITED (GB) 2015-11-24 US disclosed
US-9006392-B2 Actagardine derivatives, and pharmaceutical use thereof NOVACTA BIOSYSTEMS LIMITED (GB) 2015-04-14 US disclosed
US-8729031-B2 Compounds NOVACTA BIOSYSTEMS LIMITED (GB) 2014-05-20 US disclosed
EP-2603204-A2 FORMULATIONS FOR INFUSION OF TYPE B LANTIBIOTICS Novacta Biosystems Limited (GB) 2013-06-19 EP disclosed
US-20130137630-A1 FORMULATIONS FOR INFUSION OF TYPE B LANTIBIOTICS NOVACTA BIOSYSTEMS LIMITED (GB) 2013-05-30 US disclosed
US-20120302728-A1 Actagardine Derivatives, and Pharmaceutical Use Thereof NOVACTA BIOSYSTEMS LIMITED (GB) 2012-11-29 US disclosed
WO-2012020219-A2 FORMULATIONS FOR INFUSION OF TYPE B LANTIBIOTICS NOVACTA BIOSYSTEMS LIMITED (GB) 2012-02-16 WO disclosed
EP-2393829-A1 ACTAGARDINE DERIVATIVES Novacta Biosystems Limited (GB) 2011-12-14 EP disclosed
US-20110294723-A1 Compounds NOVACTA BIOSYSTEMS LIMITED (GB) 2011-12-01 US disclosed
WO-2011095769-A1 ACTAGARDINE DERIVATIVES, AND PHARMACEUTICAL USE THEREOF NOVACTA BIOSYSTEMS LIMITED (GB) 2011-08-11 WO disclosed
WO-2010089544-A1 ACTAGARDINE DERIVATIVES NOVACTA BIOSYSTEMS LIMITED (GB) 2010-08-12 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 (3 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-20130137630-A1 FORMULATIONS FOR INFUSION OF TYPE B LANTIBIOTICS SLC5A2, SLC5A11, SPTSSB CHRM2 4065/4885MC4R 1975/4885MC5R 3239/4885
US-20120302728-A1 Actagardine Derivatives, and Pharmaceutical Use Thereof GALR2, GALR1, GALR3 CHRM2 463/4885MC4R 635/4885MC5R 405/4885
US-20110294723-A1 Compounds SLC11A2, SDHA, SDHB CHRM2 4696/4885MC4R 2593/4885MC5R 735/4885

“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.