SCHEMBL626783

SCHEMBL626783

NC(=O)C(N)CCNCc1cc(Cl)cc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 9/20 0.44
DPP4 P27487 2/20 0.44
MARS1 P56192 6/20 0.41
EPHX1 P07099 1/20 0.40
TACR1 P25103 1/20 0.38
CNR1 P21554 1/20 0.36
FOLH1 Q04609 1/20 0.35
CHRM2 P08172 1/20 0.35

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
SCHEMBL625751 0.90 MARS1 (0.44) DPP7MARS1EPHX1FOLH1CHRM2
SCHEMBL627570 0.88 CHRM2 (0.44) DPP7MARS1EPHX1FOLH1CHRM2
SCHEMBL625338 0.88 CHRM2 (0.44) DPP7MARS1EPHX1FOLH1CHRM2
SCHEMBL625554 0.88 CHRM2 (0.44) DPP7MARS1EPHX1FOLH1CHRM2
SCHEMBL625706 0.84 EPHX1 (0.41) MARS1EPHX1TACR1
SCHEMBL625705 0.76 CYP2C9 (0.47) MARS1TACR1CNR1CHRM2
SCHEMBL26431200 0.74 EPHX1 (0.46) EPHX1
SCHEMBL626782 0.73 MARS1 (0.58) MARS1TACR1CNR1CHRM2
SCHEMBL625337 0.72 MARS1 (0.53) MARS1CHRM2
SCHEMBL625750 0.72 MARS1 (0.53) MARS1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729031-B2 Compounds NOVACTA BIOSYSTEMS LIMITED (GB) 2014-05-20 US claimed
EP-2393829-A1 ACTAGARDINE DERIVATIVES Novacta Biosystems Limited (GB) 2011-12-14 EP claimed
US-20110294723-A1 Compounds NOVACTA BIOSYSTEMS LIMITED (GB) 2011-12-01 US claimed
WO-2010089544-A1 ACTAGARDINE DERIVATIVES NOVACTA BIOSYSTEMS LIMITED (GB) 2010-08-12 WO claimed
US-9192569-B2 Formulations for infusion of type B lantibiotics NOVACTA BIOSYSTEMS LIMITED (GB) 2015-11-24 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
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-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 (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-20130137630-A1 FORMULATIONS FOR INFUSION OF TYPE B LANTIBIOTICS SLC5A2, SLC5A11, SPTSSB DPP7 988/4885DPP4 2189/4885MARS1 4018/4885
US-20110294723-A1 Compounds SLC11A2, SDHA, SDHB DPP7 1918/4885DPP4 2784/4885MARS1 4131/4885

“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.