SCHEMBL626586

SCHEMBL626586

NC(=O)NCc1cc(Cl)ccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
P2RX7 Q99572 2/20 0.49
ALDH1A1 P00352 2/20 0.47
CD38 P28907 1/20 0.47
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
EPHX2 P34913 3/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
F2 P00734 1/20 0.43
MALT1 Q9UDY8 1/20 0.43
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
NLRP1 Q9C000 1/20 0.42
ERCC1 P07992 1/20 0.42
ERCC4 Q92889 1/20 0.42

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
SCHEMBL624764 0.86 CYP2C9 (0.58) CYP2C9CYP2C19ALDH1A1NPC1RAB9A
SCHEMBL3557506 0.84 P2RX7 (0.53) P2RX7ALDH1A1NPC1RAB9AEPHX2
SCHEMBL5797584 0.82 P2RX7 (0.49) P2RX7ALDH1A1NPC1RAB9AEPHX2
Hydrochloric Acid SCHEMBL27828047 0.81 CYP2C9 (0.53) CYP2C9CYP2C19ALDH1A1EPHX2F2
SCHEMBL4246819 0.81 P2RX7 (0.54) P2RX7ALDH1A1NPC1RAB9AMEN1
SCHEMBL7934893 0.79 P2RX7 (0.53) P2RX7ALDH1A1NPC1RAB9AMEN1
SCHEMBL4074085 0.79 HTT (0.55) P2RX7ALDH1A1MEN1KMT2AMAPT
SCHEMBL7976991 0.79 CYP2C9 (0.54) CYP2C9CYP2C19P2RX7EPHX2ERCC1
SCHEMBL18887625 0.79 LMNA (0.50) P2RX7ALDH1A1EPHX2KMT2AKDM4E
SCHEMBL6357804 0.79 ALDH1A1 (0.62) CYP2C19P2RX7ALDH1A1MEN1KMT2A

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 4178/4885P2RX7 4236/4885
US-20110294723-A1 Compounds SLC11A2, SDHA, SDHB CYP2C9 102/4885CYP2C19 66/4885P2RX7 2087/4885

“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.