SCHEMBL626266

SCHEMBL626266

NC(=O)NCc1ccc(F)cc1F

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.49
MAPK8 P45983 1/20 0.49
MAOB P27338 1/20 0.48
NOTUM Q6P988 1/20 0.48
IDO1 P14902 2/20 0.46
AGXT P21549 2/20 0.46
AURKA O14965 1/20 0.45
RPS6KB1 P23443 1/20 0.45
AURKB Q96GD4 1/20 0.45
MAPK14 Q16539 2/20 0.45
MET P08581 1/20 0.44
GSK3B P49841 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KCNA5 P22460 1/20 0.43
KLKB1 P03952 1/20 0.42
PDE10A Q9Y233 1/20 0.42
EPHX2 P34913 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
SCHEMBL7137210 0.86 MAPK8 (0.49) MAPK8NOTUMMET
SCHEMBL3568253 0.84 P2RX7 (0.53) P2RX7MAPK8MAOBIDO1AGXT
SCHEMBL27694180 0.83 AKR1B1 (0.48) P2RX7NOTUMAURKAEPHX2
SCHEMBL7976991 0.83 CYP2C9 (0.54) P2RX7EPHX2
SCHEMBL5317199 0.82 P2RX7 (0.49) P2RX7MAPK8MAOBIDO1AGXT
SCHEMBL5315312 0.82 P2RX7 (0.52) P2RX7MAOBNOTUMMETGSK3B
SCHEMBL21995682 0.81 P2RX7 (0.46) P2RX7MAPK8MAOBIDO1AGXT
Hydrochloric Acid SCHEMBL538102 0.81 IDO1 (0.47) P2RX7MAPK8MAOBIDO1AGXT
SCHEMBL7979888 0.80 IDO1 (0.50) IDO1MEN1KMT2AEPHX2
SCHEMBL23482150 0.79 P2RX7 (0.56) P2RX7MAOBMEN1KMT2AKCNA5

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 13 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
EP-3265445-B1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA INC (US) 2021-05-05 EP disclosed
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 P2RX7 4236/4885MAPK8 544/4885MAOB 1528/4885
US-20110294723-A1 Compounds SLC11A2, SDHA, SDHB P2RX7 2087/4885MAPK8 1666/4885MAOB 164/4885

“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.