SCHEMBL29136773

SCHEMBL29136773

NC(=O)C1CC1c1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
MAPT P10636 1/20 0.50
SLC9A1 P19634 1/20 0.48
MAPK1 P28482 2/20 0.45
TSHR P16473 1/20 0.45
ALDH1A1 P00352 4/20 0.45
PDE7A Q13946 4/20 0.43
SIRT2 Q8IXJ6 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
LMNA P02545 2/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
KCNMA1 Q12791 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL29879734 1.00 L3MBTL1 (0.50) L3MBTL1MAPTSLC9A1MAPK1TSHR
SCHEMBL29302341 1.00 L3MBTL1 (0.50) L3MBTL1MAPTSLC9A1MAPK1TSHR
SCHEMBL29879421 1.00 L3MBTL1 (0.50) L3MBTL1MAPTSLC9A1MAPK1TSHR
SCHEMBL29136832 0.87 MAPK1 (0.46) L3MBTL1MAPTSLC9A1MAPK1TSHR
SCHEMBL29302342 0.87 MAPK1 (0.46) L3MBTL1MAPTSLC9A1MAPK1TSHR
SCHEMBL24737897 0.80 L3MBTL1 (0.44) L3MBTL1MAPTMAPK1TSHRALDH1A1
SCHEMBL29880041 0.80 L3MBTL1 (0.44) L3MBTL1MAPTMAPK1TSHRALDH1A1
SCHEMBL29302343 0.80 L3MBTL1 (0.44) L3MBTL1MAPTMAPK1TSHRALDH1A1
SCHEMBL29879456 0.80 L3MBTL1 (0.44) L3MBTL1MAPTMAPK1TSHRALDH1A1
SCHEMBL24739833 0.78 SLC9A1 (0.54) MAPTSLC9A1MAPK1TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4585265-A2 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN Takeda Pharmaceutical Company Limited (JP) 2025-07-16 EP disclosed
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-07-11 US disclosed
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-07-11 US disclosed
EP-4308230-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN Takeda Pharmaceutical Company Limited (JP) 2024-01-24 EP disclosed
CN-117355521-A Heteroaryl inhibitors of plasma kallikrein 武田药品工业株式会社 2024-01-05 CN disclosed
WO-2022197758-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 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-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK5, KLK1 L3MBTL1 2856/4885MAPT 3787/4885SLC9A1 4428/4885

“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.