SCHEMBL19356378

SCHEMBL19356378

CC1(C)COB(c2ccc3ccnc(N)c3c2)O1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ F12 P00748 1/20 0.36
▸ PLAU P00749 1/20 0.36
▸ NCF1 P14598 1/20 0.36
▸ NOS3 P29474 1/20 0.36
▸ NOS1 P29475 1/20 0.36
▸ NOS2 P35228 1/20 0.36
▸ BACE1 P56817 1/20 0.36
▸ TLR8 Q9NR97 2/20 0.32
▸ ROCK1 Q13464 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
SCHEMBL1817828 0.82 LPL (0.42) F12PLAUNCF1NOS3NOS1
SCHEMBL22793668 0.77 LPL (0.39) —
SCHEMBL21499286 0.74 UHRF1 (0.36) —
SCHEMBL24307019 0.73 LPL (0.38) —
SCHEMBL29591332 0.72 LPL (0.39) —
SCHEMBL30016988 0.71 ROCK1 (0.45) F12PLAUNCF1NOS3NOS1
SCHEMBL29134932 0.71 ROCK1 (0.45) F12PLAUNCF1NOS3NOS1
SCHEMBL21710357 0.71 ALDH1A1 (0.43) —
SCHEMBL21341024 0.71 LPL (0.44) —
SCHEMBL19891733 0.70 LMNA (0.30) —

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-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-07-18 — — US disclosed
WO-2017156508-A1 C-GLYCOSIDE COMPOUNDS USEFUL FOR TREATING DISEASE FIMBRION THERAPEUTICS, INC. (US) 2017-09-14 — — WO 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-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 KLK5, KLK1, KLKB1 F12 1333/4885PLAU 982/4885NCF1 1687/4885

“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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