SCHEMBL23088100

SCHEMBL23088100

N#Cc1cc(Cl)ccc1N=[N+]=[N-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.38
▸ VCAM1 P19320 1/20 0.38
▸ FNTA P49354 2/20 0.35
▸ FNTB P49356 2/20 0.35
▸ MAOA P21397 2/20 0.35
▸ MAOB P27338 2/20 0.35
▸ GPR35 Q9HC97 1/20 0.35
▸ SLC1A5 Q15758 1/20 0.33
▸ MCL1 Q07820 1/20 0.32
▸ TRPV4 Q9HBA0 1/20 0.32
▸ NOS2 P35228 1/20 0.31
▸ KDM4E B2RXH2 3/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ GAA P10253 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 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
SCHEMBL14691380 0.86 VCAM1 (0.41) CYP2A6VCAM1FNTAFNTBMAOA
SCHEMBL25332839 0.75 ITGB3 (0.43) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL26751155 0.75 MCL1 (0.34) MAOAMAOBMCL1HPGDALDH1A1
SCHEMBL26751865 0.75 CYP2A6 (0.39) CYP2A6KDM4EMEN1HPGDKMT2A
SCHEMBL28320699 0.73 LMNA (0.42) MAOAMAOBKDM4EMEN1HPGD
SCHEMBL10712015 0.73 VCAM1 (0.42) CYP2A6VCAM1MAOAMAOBGPR35
SCHEMBL11880442 0.73 ITGB3 (0.46) CYP2A6VCAM1KMT2AALDH1A1CYP2D6
SCHEMBL10713216 0.73 CYP2A6 (0.39) CYP2A6VCAM1MAOAMAOBGPR35
SCHEMBL30718084 0.72 KHK (0.37) TRPV4NOS2ALDH1A1CYP2D6
SCHEMBL17295795 0.72 SLC6A3 (0.41) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12221441-B2 Plasma kallikrein inhibitors and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-02-11 — — US disclosed
EP-4477220-A2 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF Takeda Pharmaceutical Company Limited (JP) 2024-12-18 — — EP disclosed
EP-4031547-B1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2024-07-17 — — EP disclosed
EP-4031547-B1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2024-07-17 — — EP disclosed
US-20230391773-A1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-12-07 — — US disclosed
US-11787796-B2 Plasma Kallikrein inhibitors and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-17 — — US disclosed
US-11787796-B2 Plasma Kallikrein inhibitors and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-17 — — US disclosed
US-11787796-B2 Plasma Kallikrein inhibitors and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-17 — — US disclosed
EP-4031547-A1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF Takeda Pharmaceutical Company Limited (JP) 2022-07-27 — — EP disclosed
CN-114728962-A Plasma kallikrein inhibitors and uses thereof 武田药品工业有限公司 2022-07-08 — — CN disclosed
WO-2021055621-A1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2021-03-25 — — WO disclosed
WO-2021055621-A1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2021-03-25 — — WO disclosed
US-20210078999-A1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF CHARLES RIVER LABORATORIES, INC. 2021-03-18 — — US disclosed
US-20210078999-A1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF CHARLES RIVER LABORATORIES, INC. 2021-03-18 — — 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 (4 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-12221441-B2 Plasma kallikrein inhibitors and uses thereof KLKB1, KLK1, KLK5 CYP2A6 2270/4885VCAM1 498/4885FNTA 1158/4885
US-11787796-B2 Plasma Kallikrein inhibitors and uses thereof KLKB1, KLK1, KLK5 CYP2A6 2270/4885VCAM1 498/4885FNTA 1158/4885
US-20230391773-A1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF KLKB1, KLK1, KLK5 CYP2A6 2270/4885VCAM1 498/4885FNTA 1158/4885
US-20210078999-A1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF KLKB1, KLK1, KLK5 CYP2A6 2270/4885VCAM1 498/4885FNTA 1158/4885

“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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