SCHEMBL21995682

SCHEMBL21995682

NNC(=O)C(=O)NCc1ccc(F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.46
MAOB P27338 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPK8 P45983 1/20 0.43
IDO1 P14902 2/20 0.42
AGXT P21549 2/20 0.42
MET P08581 1/20 0.42
GSK3B P49841 1/20 0.42
ALPL P05186 1/20 0.40
KCNA5 P22460 1/20 0.40
AURKA O14965 1/20 0.40
RPS6KB1 P23443 1/20 0.40
AURKB Q96GD4 1/20 0.40
PDE10A Q9Y233 1/20 0.40
EPHX2 P34913 1/20 0.40
AKR1A1 P14550 1/20 0.39
AKR1B1 P15121 1/20 0.39
HSD17B13 Q7Z5P4 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
SCHEMBL21995674 0.87 MAPK8 (0.43) MAPK8METALPL
SCHEMBL21995675 0.84 P2RX7 (0.50) P2RX7
SCHEMBL15682664 0.84 ERCC1 (0.49) P2RX7AKR1B1
SCHEMBL626266 0.81 P2RX7 (0.49) P2RX7MAOBMEN1KMT2AMAPK8
SCHEMBL15682676 0.81 ROCK2 (0.40) P2RX7MEN1KMT2A
SCHEMBL15682776 0.80 RIPK1 (0.53) MEN1KMT2A
SCHEMBL3568253 0.80 P2RX7 (0.53) P2RX7MAOBMEN1KMT2AMAPK8
SCHEMBL5315312 0.78 P2RX7 (0.52) P2RX7MAOBMEN1KMT2AMET
SCHEMBL5317199 0.78 P2RX7 (0.49) P2RX7MAOBMEN1KMT2AMAPK8
SCHEMBL29500546 0.78 MAPK8 (0.56) P2RX7MAOBMAPK8IDO1AGXT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220387356-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) INHIBITOR AND METHOD OF USE THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2022-12-08 US disclosed
US-20200147007-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) INHIBITOR AND METHOD OF USE EASTERN MICHIGAN UNIVERSITY 2020-05-14 US 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-20220387356-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) INHIBITOR AND METHOD OF USE SERPINE1, PLAT, SERPINC1 P2RX7 4572/4885MAOB 492/4885MEN1 1743/4885
US-20200147007-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) INHIBITOR AND METHOD OF USE SERPINE1, PLAT, SERPINC1 P2RX7 4572/4885MAOB 492/4885MEN1 1743/4885

“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.