SCHEMBL625705

SCHEMBL625705

NC(=O)NCCNCc1cc(Cl)cc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MARS1 P56192 7/20 0.47
CNR1 P21554 1/20 0.42
TACR1 P25103 1/20 0.41
PDCD1LG2 Q9BQ51 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
CHRM2 P08172 1/20 0.38
HDAC1 Q13547 1/20 0.37
P2RX7 Q99572 1/20 0.37
RHOC P08134 1/20 0.35
RHOA P61586 1/20 0.35
FABP4 P15090 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
SCHEMBL626782 0.90 MARS1 (0.58) CYP2C9CYP2C19MARS1CNR1TACR1
SCHEMBL625553 0.89 MARS1 (0.53) CYP2C9CYP2C19MARS1CHRM2
SCHEMBL625804 0.89 MARS1 (0.56) CYP2C9CYP2C19MARS1CNR1TACR1
SCHEMBL627569 0.89 MARS1 (0.53) CYP2C9CYP2C19MARS1CHRM2
SCHEMBL625337 0.89 MARS1 (0.53) CYP2C9CYP2C19MARS1CHRM2
SCHEMBL625750 0.89 MARS1 (0.53) CYP2C9CYP2C19MARS1CHRM2
SCHEMBL17513300 0.84 MARS1 (0.48) MARS1CNR1TACR1CHRM2P2RX7
SCHEMBL626342 0.83 CYP2C9 (0.66) CYP2C9CYP2C19MARS1CNR1TACR1
SCHEMBL626783 0.76 DPP7 (0.44) MARS1CNR1TACR1CHRM2
SCHEMBL625803 0.74 CYP2C9 (0.58) CYP2C9CYP2C19TACR1P2RX7

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 CYP2C9 4511/4885CYP2C19 4178/4885MARS1 4018/4885
US-20110294723-A1 Compounds SLC11A2, SDHA, SDHB CYP2C9 102/4885CYP2C19 66/4885MARS1 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.