SCHEMBL30346302

SCHEMBL30346302

O=C1C=CC(=O)N1Nc1ccc(C(F)(F)F)c(-c2ccccc2)n1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
XPO1 O14980 12/20 0.63
XDH P47989 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
NTRK1 P04629 2/20 0.33
CYP11B2 P19099 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL1592486 0.84 XPO1 (0.48) XPO1NTRK1
SCHEMBL1592487 0.83 XPO1 (0.43) XPO1XDHADORA3ADORA2AADORA1
SCHEMBL3637557 0.78 XPO1 (0.39) XPO1TRPV1NTRK1
SCHEMBL1593000 0.74 XPO1 (0.48) XPO1TRPV1CYP11B2
SCHEMBL1593002 0.72 XPO1 (0.44) XPO1TRPV1CYP11B2
SCHEMBL24465012 0.71 XPO1 (0.40) XPO1NTRK1
SCHEMBL1592800 0.71 XPO1 (0.48) XPO1
SCHEMBL1592522 0.71 XPO1 (0.47) XPO1
SCHEMBL20880320 0.69 XPO1 (0.46) XPO1ADORA3ADORA2AADORA1
SCHEMBL29934305 0.68 XDH (0.48) XPO1XDHADORA2A

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-20230158005-A1 Substituted Azole Dione Compounds with Antiviral Activity STEMLINE THERAPEUTICS, INC. (US) 2023-05-25 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-20230158005-A1 Substituted Azole Dione Compounds with Antiviral Activity MAVS, DDX18, ZC3HAV1 XPO1 302/4885XDH 61/4885ADORA3 3120/4885

“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.