SCHEMBL29136832

SCHEMBL29136832

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 4/20 0.46
SLC9A1 P19634 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
MAPT P10636 1/20 0.42
POLB P06746 2/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PKM P14618 1/20 0.39
FFAR1 O14842 1/20 0.39
APP P05067 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PDE7A Q13946 3/20 0.38
PDE7B Q9NP56 1/20 0.38

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
SCHEMBL29302342 1.00 MAPK1 (0.46) MAPK1TSHRALDH1A1SLC9A1L3MBTL1
SCHEMBL29879421 0.87 L3MBTL1 (0.50) MAPK1TSHRALDH1A1SLC9A1L3MBTL1
SCHEMBL29136773 0.87 L3MBTL1 (0.50) MAPK1TSHRALDH1A1SLC9A1L3MBTL1
SCHEMBL29879734 0.87 L3MBTL1 (0.50) MAPK1TSHRALDH1A1SLC9A1L3MBTL1
SCHEMBL29302341 0.87 L3MBTL1 (0.50) MAPK1TSHRALDH1A1SLC9A1L3MBTL1
SCHEMBL24737897 0.81 L3MBTL1 (0.44) MAPK1TSHRALDH1A1L3MBTL1MAPT
SCHEMBL29880041 0.81 L3MBTL1 (0.44) MAPK1TSHRALDH1A1L3MBTL1MAPT
SCHEMBL29879456 0.81 L3MBTL1 (0.44) MAPK1TSHRALDH1A1L3MBTL1MAPT
SCHEMBL29302343 0.81 L3MBTL1 (0.44) MAPK1TSHRALDH1A1L3MBTL1MAPT
SCHEMBL11098511 0.79 KMT2A (0.48) MAPK1TSHRALDH1A1MAPTLMNA

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 MAPK1 3772/4885TSHR 4000/4885ALDH1A1 3026/4885

“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.