SCHEMBL626104

SCHEMBL626104

NCc1ccc(CNCc2cc(Cl)cc(Cl)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.50
TAAR1 Q96RJ0 2/20 0.44
HDAC1 Q13547 1/20 0.44
MAOB P27338 3/20 0.42
CHRM2 P08172 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TPSAB1 Q15661 2/20 0.41
ANPEP P15144 1/20 0.41
ERAP2 Q6P179 1/20 0.41
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL31540767 0.89 TAAR1 (0.47) PNMTTAAR1HDAC1MAOBCHRM2
SCHEMBL7250935 0.85 CHRM2 (0.55) PNMTTAAR1MAOBCHRM2ALDH1A1
SCHEMBL6719108 0.84 ALDH1A1 (0.42) HDAC1CHRM2ALDH1A1ANPEPERAP2
SCHEMBL184010 0.80 OXTR (0.57) CHRM2ALDH1A1
SCHEMBL625849 0.77 ALDH1A1 (0.47) HDAC1ALDH1A1
SCHEMBL185074 0.76 OXTR (0.57) CHRM2ALDH1A1
SCHEMBL625735 0.75 CHRM2 (0.48) TAAR1CHRM2
SCHEMBL111874 0.75 PNMT (0.56) PNMTTAAR1MAOBHRH3
SCHEMBL7244890 0.74 LOXL2 (0.67) TAAR1MAOBCHRM2TPSAB1
SCHEMBL6714941 0.73 CHRM2 (0.57) HDAC1CHRM2ALDH1A1

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 13 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-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
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 PNMT 4344/4885TAAR1 1700/4885HDAC1 3232/4885
US-20120302728-A1 Actagardine Derivatives, and Pharmaceutical Use Thereof GALR2, GALR1, GALR3 PNMT 2317/4885TAAR1 373/4885HDAC1 4758/4885
US-20110294723-A1 Compounds SLC11A2, SDHA, SDHB PNMT 3238/4885TAAR1 4497/4885HDAC1 449/4885

“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.