SCHEMBL21499387

SCHEMBL21499387

CC(C)(C)n1nc(C(=O)Nc2ccc3c(c2)CCCCN3)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 1/20 0.43
▸ RAB9A P51151 7/20 0.42
▸ NPC1 O15118 5/20 0.42
▸ MAPT P10636 3/20 0.42
▸ GAA P10253 2/20 0.41
▸ PDE7A Q13946 1/20 0.40
▸ TP53 P04637 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ PIR O00625 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ HSF1 Q00613 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.38
▸ BACE1 P56817 2/20 0.37
▸ BACE2 Q9Y5Z0 2/20 0.37
▸ PYGL P06737 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37

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
SCHEMBL21468489 0.87 RAB9A (0.51) RAB9ANPC1MAPTGAATP53
SCHEMBL21499350 0.75 AURKA (0.56) PLAURAB9ANPC1MAPTGAA
SCHEMBL21499352 0.73 PLAU (0.58) PLAURAB9ANPC1MAPTTP53
SCHEMBL6844828 0.69 PLAU (0.53) PLAURAB9ANPC1MAPTGAA
SCHEMBL21499351 0.69 PDE7A (0.47) PLAURAB9ANPC1MAPTGAA
SCHEMBL21499378 0.69 RAB9A (0.44) RAB9ANPC1MAPTTP53SMN1; SMN2
SCHEMBL5053574 0.68 PLAU (0.56) PLAURAB9ANPC1MAPTGAA
SCHEMBL30464664 0.68 PLAU (0.56) PLAURAB9ANPC1MAPTGAA
SCHEMBL20291406 0.67 KDR (0.64) TRPV1
SCHEMBL3545975 0.67 PLAU (0.50) PLAURAB9ANPC1MAPTGAA

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-10450263-B2 Benzo annulenes as antiviral agents SOUTHERN RESEARCH INSTITUTE (US) 2019-10-22 — — 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-10450263-B2 Benzo annulenes as antiviral agents MAVS, ZC3HAV1, GABBR1 PLAU 4693/4885RAB9A 1314/4885NPC1 908/4885

“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.

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