SCHEMBL625751

SCHEMBL625751

NC(=O)C(N)CCCCNCc1cc(Cl)cc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 6/20 0.44
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
FOLH1 Q04609 2/20 0.43
CHRM2 P08172 2/20 0.42
EPHX1 P07099 1/20 0.37

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
SCHEMBL625554 0.99 CHRM2 (0.44) MARS1DPP8DPP9DPP7FOLH1
SCHEMBL627570 0.99 CHRM2 (0.44) MARS1DPP8DPP9DPP7FOLH1
SCHEMBL625338 0.99 CHRM2 (0.44) MARS1DPP8DPP9DPP7FOLH1
SCHEMBL626783 0.90 DPP7 (0.44) MARS1DPP7FOLH1CHRM2EPHX1
SCHEMBL625706 0.80 EPHX1 (0.41) MARS1EPHX1
SCHEMBL625337 0.78 MARS1 (0.53) MARS1CHRM2
SCHEMBL625750 0.78 MARS1 (0.53) MARS1CHRM2
SCHEMBL627569 0.78 MARS1 (0.53) MARS1CHRM2
SCHEMBL625553 0.78 MARS1 (0.53) MARS1CHRM2
SCHEMBL626782 0.76 MARS1 (0.58) 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 MARS1 4018/4885DPP8 2345/4885DPP9 2177/4885
US-20110294723-A1 Compounds SLC11A2, SDHA, SDHB MARS1 4131/4885DPP8 2386/4885DPP9 1499/4885

“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.