SCHEMBL29277993

SCHEMBL29277993

Brc1cc(NCc2ccc3ncc(C4CC4)cc3c2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.41
▸ PSMB5 P28074 1/20 0.39
▸ CSF1R P07333 2/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.35
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ PDGFRB P09619 1/20 0.33
▸ PDGFRA P16234 1/20 0.33
▸ IGF1R P08069 1/20 0.33
▸ EGFR P00533 3/20 0.33
▸ KLKB1 P03952 1/20 0.33
▸ MAP4K1 Q92918 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ KDM4C Q9H3R0 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ USP30 Q70CQ3 1/20 0.31
▸ NTRK1 P04629 1/20 0.31

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
SCHEMBL29939902 1.00 NPC1 (0.41) NPC1PSMB5CSF1RHDAC6SLC6A2
SCHEMBL29939945 0.91 NPC1 (0.39) NPC1PSMB5CSF1RHDAC6SLC6A2
SCHEMBL29277919 0.91 NPC1 (0.39) NPC1PSMB5CSF1RHDAC6SLC6A2
SCHEMBL30960508 0.76 CYP2A6 (0.34) SLC6A2SLC6A4SLC6A3IGF1RKDM4E
SCHEMBL29302552 0.72 PSMB5 (0.49) PSMB5SLC6A4PDGFRBPDGFRAIGF1R
SCHEMBL19780397 0.72 PSMB5 (0.49) PSMB5SLC6A4PDGFRBPDGFRAKLKB1
SCHEMBL29940091 0.72 PSMB5 (0.49) PSMB5SLC6A4PDGFRBPDGFRAKLKB1
SCHEMBL19780398 0.72 PSMB5 (0.49) PSMB5SLC6A4PDGFRBPDGFRAKLKB1
SCHEMBL29940258 0.72 PSMB5 (0.49) PSMB5SLC6A4PDGFRBPDGFRAKLKB1
SCHEMBL29277928 0.71 SLC6A2 (0.35) NPC1SLC6A2SLC6A4SLC6A3KLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240226106-A1 INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES (US) 2024-07-11 — — US disclosed
US-20240226106-A1 INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES (US) 2024-07-11 — — US disclosed
CN-117396469-A Inhibitors of plasma kallikrein 武田药品工业株式会社 2024-01-12 — — CN 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-20240226106-A1 INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK5, KLK1 NPC1 1706/4885PSMB5 1803/4885CSF1R 1230/4885

“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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