SCHEMBL19780100

SCHEMBL19780100

COC(=O)c1ccc2ncc(C3CC3)cc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.55
ALOX15 P16050 1/20 0.55
PSMB5 P28074 1/20 0.47
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
HSP90AA1 P07900 1/20 0.45
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 4/20 0.42
MAPK1 P28482 2/20 0.41
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40

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
SCHEMBL29940558 1.00 HTT (0.55) HTTALOX15PSMB5PDGFRBPDGFRA
SCHEMBL29277914 0.93 HTT (0.48) HTTALOX15PSMB5PDGFRBPDGFRA
SCHEMBL29940332 0.89 ALOX15 (0.48) HTTALOX15PSMB5PDGFRBPDGFRA
SCHEMBL21355246 0.86 NPC1 (0.51) HTTPSMB5PDGFRBPDGFRANPC1
SCHEMBL29278003 0.83 ALOX15 (0.39) HTTALOX15PSMB5PDGFRBPDGFRA
SCHEMBL29277941 0.83 RXFP1 (0.44) HTTALOX15PSMB5MAPK1NR1H4
SCHEMBL10466162 0.82 HTT (0.67) HTTALOX15NPC1RAB9AALDH1A1
SCHEMBL18369672 0.82 KLKB1 (0.51)
SCHEMBL1644304 0.80 MAPK1 (0.41) HTTALOX15PDGFRBPDGFRAALDH1A1
SCHEMBL264087 0.80 PTPN11 (0.51) HTTALOX15NPC1RAB9AHSP90AA1

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 11 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
US-20240226106-A1 INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES (US) 2024-07-11 US disclosed
EP-4308229-A1 INHIBITORS OF PLASMA KALLIKREIN Takeda Pharmaceutical Company Limited (JP) 2024-01-24 EP disclosed
CN-117396469-A Inhibitors of plasma kallikrein 武田药品工业株式会社 2024-01-12 CN disclosed
WO-2022197763-A1 INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 WO disclosed
US-20210395221-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS INC (US) 2021-12-23 US disclosed
US-10781200-B2 Therapeutic inhibitory compounds ATTUNE PHARMACEUTICALS, INC. (US) 2020-09-22 US disclosed
US-20200239435-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2020-07-30 US disclosed
US-10301284-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2019-05-28 US disclosed
WO-2018011628-A1 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2018-01-18 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 (5 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 HTT 4756/4885ALOX15 1682/4885PSMB5 1803/4885
US-20200239435-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 HTT 4060/4885ALOX15 269/4885PSMB5 1760/4885
US-20210395221-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 HTT 4060/4885ALOX15 269/4885PSMB5 1760/4885
US-10781200-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 HTT 4060/4885ALOX15 269/4885PSMB5 1760/4885
US-10301284-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 HTT 4060/4885ALOX15 269/4885PSMB5 1760/4885

“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.