SCHEMBL21995674

SCHEMBL21995674

NNC(=O)C(=O)NCc1cc(F)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.43
CNR1 P21554 1/20 0.43
MET P08581 1/20 0.42
CHRM4 P08173 1/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
ROCK2 O75116 2/20 0.40
ROCK1 Q13464 1/20 0.40
RIPK1 Q13546 1/20 0.38
NAMPT P43490 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
ALPL P05186 1/20 0.38
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL21995682 0.87 P2RX7 (0.46) MAPK8METALPL
SCHEMBL18656738 0.85 MAPK8 (0.44) MAPK8CNR1METCHRM4ALDH1A1
SCHEMBL15682676 0.84 ROCK2 (0.40) CHRM4LMNARAB9AROCK2
SCHEMBL7137210 0.81 MAPK8 (0.49) MAPK8CNR1METCHRM4ALDH1A1
SCHEMBL21995675 0.81 P2RX7 (0.50) LMNAMAPT
SCHEMBL15682776 0.80 RIPK1 (0.53) ALDH1A1LMNAMAPTRIPK1
SCHEMBL3562274 0.80 ALDH1A1 (0.48) MAPK8CNR1METCHRM4ALDH1A1
SCHEMBL15682664 0.78 ERCC1 (0.49) ALDH1A1MAPTROCK2ROCK1
SCHEMBL4329523 0.78 CNR1 (0.45) CNR1METCHRM4ALDH1A1LMNA
SCHEMBL5810435 0.78 CNR1 (0.45) MAPK8CNR1METCHRM4ALDH1A1

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 MAPK8 2418/4885CNR1 2876/4885MET 2380/4885
US-20200147007-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) INHIBITOR AND METHOD OF USE SERPINE1, PLAT, SERPINC1 MAPK8 2418/4885CNR1 2876/4885MET 2380/4885

“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.