SCHEMBL5468872

SCHEMBL5468872

O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c[c]ccc1O

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 16/20 0.66
P2RX7 Q99572 5/20 0.66
P2RX4 Q99571 4/20 0.66
TMPRSS4 Q9NRS4 11/20 0.63
MEN1 O00255 1/20 0.61
IKBKB O14920 1/20 0.61
CHUK O15111 1/20 0.61
KDR P35968 1/20 0.61
FLT3 P36888 1/20 0.61
KMT2A Q03164 1/20 0.61
MYLK Q15746 1/20 0.61
MAP4K5 Q9Y4K4 1/20 0.61

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
SCHEMBL5464212 0.93 P2RX1 (0.60) P2RX1P2RX7P2RX4TMPRSS4MEN1
SCHEMBL5469870 0.89 TMPRSS4 (0.69) P2RX1P2RX7P2RX4TMPRSS4MEN1
SCHEMBL5464092 0.81 TOP1 (0.46) P2RX1P2RX7P2RX4TMPRSS4MEN1
SCHEMBL5470386 0.81 TRPV1 (0.59) TMPRSS4MEN1KMT2A
SCHEMBL5468426 0.80 TMPRSS4 (0.65) P2RX1P2RX7P2RX4TMPRSS4MEN1
SCHEMBL130439 0.80 P2RX1 (0.81) P2RX1P2RX7P2RX4TMPRSS4MEN1
SCHEMBL127962 0.80 P2RX1 (1.00) P2RX1P2RX7P2RX4TMPRSS4MEN1
SCHEMBL5464214 0.79 TMPRSS4 (0.65) P2RX1P2RX7P2RX4TMPRSS4MEN1
SCHEMBL23303456 0.78 P2RX1 (1.00) P2RX1P2RX7P2RX4TMPRSS4MEN1
SCHEMBL132386 0.77 P2RX1 (1.00) P2RX1P2RX7P2RX4TMPRSS4MEN1

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-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2007-11-29 US disclosed
EP-1666469-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR Institute of Medicinal Molecular Design, Inc. (JP) 2006-06-07 EP 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 (1 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-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor SERPINE1, SERPINC1, SERPINB1 P2RX1 4478/4885P2RX7 4702/4885P2RX4 4847/4885

“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.