SCHEMBL21499351

SCHEMBL21499351

CC(C)(C)c1ncc(C(=O)Nc2ccc3c(c2)CCCCN3)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 1/20 0.47
▸ PLAU P00749 1/20 0.45
▸ RAB9A P51151 8/20 0.42
▸ NPC1 O15118 7/20 0.42
▸ SMN1; SMN2 Q16637 7/20 0.42
▸ MAPT P10636 6/20 0.42
▸ NFKB1 P19838 4/20 0.42
▸ NFKB2 Q00653 4/20 0.42
▸ RELA Q04206 4/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ PIR O00625 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ HSF1 Q00613 1/20 0.40
▸ BTK Q06187 1/20 0.40
▸ POLB P06746 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39

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
SCHEMBL21468476 0.85 RAB9A (0.52) RAB9ANPC1SMN1; SMN2MAPTNFKB1
SCHEMBL21499352 0.77 PLAU (0.58) PLAURAB9ANPC1SMN1; SMN2MAPT
SCHEMBL21499349 0.72 SMN1; SMN2 (0.36) RAB9ANPC1SMN1; SMN2MAPTNFKB1
SCHEMBL28827541 0.71 KLKB1 (0.44) PLAURAB9ANPC1SMN1; SMN2MAPT
SCHEMBL18407360 0.71 PTPN1 (0.56) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL30464664 0.70 PLAU (0.56) PLAURAB9ANPC1MAPTALDH1A1
SCHEMBL5053574 0.70 PLAU (0.56) PLAURAB9ANPC1MAPTALDH1A1
SCHEMBL21468460 0.69 DHODH (0.59) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL21499387 0.69 PLAU (0.43) PDE7APLAURAB9ANPC1SMN1; SMN2
SCHEMBL17936101 0.69 BTK (0.41) RAB9ANPC1SMN1; SMN2MAPTALDH1A1

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 PDE7A 3730/4885PLAU 4693/4885RAB9A 1314/4885

“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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