SCHEMBL625804

SCHEMBL625804

NC(=O)NCCCNCCCNCc1cc(Cl)cc(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 7/20 0.56
CHRM2 P08172 2/20 0.45
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
CNR1 P21554 1/20 0.39
FABP4 P15090 1/20 0.39
TACR1 P25103 1/20 0.38
FBP1 P09467 1/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
HTR7 P34969 1/20 0.38
HTR6 P50406 1/20 0.38
P2RX7 Q99572 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
SCHEMBL626782 0.98 MARS1 (0.58) MARS1CHRM2CYP2C9CYP2C19ALDH1A1
SCHEMBL625553 0.94 MARS1 (0.53) MARS1CHRM2CYP2C9CYP2C19BCHE
SCHEMBL627569 0.94 MARS1 (0.53) MARS1CHRM2CYP2C9CYP2C19BCHE
SCHEMBL625750 0.94 MARS1 (0.53) MARS1CHRM2CYP2C9CYP2C19BCHE
SCHEMBL625337 0.94 MARS1 (0.53) MARS1CHRM2CYP2C9CYP2C19BCHE
SCHEMBL625705 0.89 CYP2C9 (0.47) MARS1CHRM2CYP2C9CYP2C19CNR1
SCHEMBL626342 0.79 CYP2C9 (0.66) MARS1CYP2C9CYP2C19CNR1TACR1
SCHEMBL19399650 0.79 CA3 (0.56) MARS1CHRM2ALDH1A1SMN1; SMN2
SCHEMBL625484 0.78 CHRM2 (0.51) MARS1CHRM2CYP2C9CYP2C19
SCHEMBL17513326 0.76 MARS1 (0.51) MARS1DRD2

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 4018/4885CHRM2 4065/4885CYP2C9 4511/4885
US-20110294723-A1 Compounds SLC11A2, SDHA, SDHB MARS1 4131/4885CHRM2 4696/4885CYP2C9 102/4885

“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.