SCHEMBL626342

SCHEMBL626342

NC(=O)NCc1cc(Cl)cc(Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66
TACR1 P25103 1/20 0.50
RECQL P46063 1/20 0.44
P2RX7 Q99572 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
WDR5 P61964 2/20 0.41
MALT1 Q9UDY8 1/20 0.40
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
CNR1 P21554 1/20 0.40
METAP2 P50579 1/20 0.40
ROCK1 Q13464 1/20 0.40
MARS1 P56192 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
IDO1 P14902 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
SCHEMBL625803 0.89 CYP2C9 (0.58) CYP2C9CYP2C19TACR1RECQLP2RX7
SCHEMBL25779411 0.84 TACR1 (0.47) CYP2C9CYP2C19TACR1P2RX7MEN1
SCHEMBL625705 0.83 CYP2C9 (0.47) CYP2C9CYP2C19TACR1P2RX7CNR1
SCHEMBL625739 0.83 CYP2C9 (0.51) CYP2C9CYP2C19TACR1RECQLP2RX7
SCHEMBL626329 0.81 CYP2C9 (0.62) CYP2C9CYP2C19RECQLMEN1KMT2A
SCHEMBL11121464 0.81 TACR1 (0.56) CYP2C9CYP2C19TACR1P2RX7MEN1
SCHEMBL626782 0.81 MARS1 (0.58) CYP2C9CYP2C19TACR1P2RX7CNR1
SCHEMBL625553 0.79 MARS1 (0.53) CYP2C9CYP2C19MARS1
SCHEMBL625750 0.79 MARS1 (0.53) CYP2C9CYP2C19MARS1
SCHEMBL625337 0.79 MARS1 (0.53) CYP2C9CYP2C19MARS1

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 24 patents — showing the first 20. 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 claimed
US-9006392-B2 Actagardine derivatives, and pharmaceutical use thereof NOVACTA BIOSYSTEMS LIMITED (GB) 2015-04-14 US claimed
US-8729031-B2 Compounds NOVACTA BIOSYSTEMS LIMITED (GB) 2014-05-20 US claimed
EP-2603204-A2 FORMULATIONS FOR INFUSION OF TYPE B LANTIBIOTICS Novacta Biosystems Limited (GB) 2013-06-19 EP claimed
US-20130137630-A1 FORMULATIONS FOR INFUSION OF TYPE B LANTIBIOTICS NOVACTA BIOSYSTEMS LIMITED (GB) 2013-05-30 US claimed
WO-2012020219-A2 FORMULATIONS FOR INFUSION OF TYPE B LANTIBIOTICS NOVACTA BIOSYSTEMS LIMITED (GB) 2012-02-16 WO 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-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
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-2011095768-A1 LANTIBIOTIC SALTS NOVACTA BIOSYSTEMS LIMITED (GB) 2011-08-11 WO 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 (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 4178/4885TACR1 1836/4885
US-20110294723-A1 Compounds SLC11A2, SDHA, SDHB CYP2C9 102/4885CYP2C19 66/4885TACR1 720/4885

“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.