SCHEMBL13077675

SCHEMBL13077675

O=C(Nc1cccc(OC(F)(F)F)c1)c1cnc(Cl)nc1C(F)(F)F

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
XPO1 O14980 4/20 0.69
NFKB1 P19838 15/20 0.67
ATF1 P18846 14/20 0.67
JUN P05412 2/20 0.61
NFKB2 Q00653 2/20 0.61
RELA Q04206 2/20 0.61
P2RX1 P51575 1/20 0.59

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
SCHEMBL1862523 0.86 NFKB1 (0.74) XPO1NFKB1ATF1JUNNFKB2
SCHEMBL1864557 0.84 NFKB1 (0.78) XPO1NFKB1ATF1JUNNFKB2
SCHEMBL13077672 0.81 XPO1 (0.71) XPO1NFKB1ATF1JUNNFKB2
SCHEMBL17448384 0.77 P2RX1 (0.63) P2RX1
SCHEMBL458841 0.77 NFKB1 (1.00) XPO1NFKB1ATF1JUNNFKB2
SCHEMBL13189703 0.75 P2RX1 (1.00) P2RX1
SCHEMBL2532524 0.74 GRM4 (0.74) P2RX1
SCHEMBL23309615 0.73 P2RX1 (0.58) P2RX1
SCHEMBL8406630 0.73 P2RX1 (0.75) P2RX1
SCHEMBL17531734 0.73 P2RX1 (0.64) P2RX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100280036-A1 Modulation of Pathogenicity QUONOVA, LLC 2010-11-04 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 (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-20100280036-A1 Modulation of Pathogenicity NR4A1, NR4A2, NR4A3 XPO1 1607/4885NFKB1 2117/4885ATF1 2956/4885

“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.