SCHEMBL27239031

SCHEMBL27239031

NCc1ccc(Cn2ccccc2=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
KLKB1 P03952 12/20 0.59
KLK1 P06870 8/20 0.59
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.41

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
SCHEMBL9752787 0.90 POLB (0.63) POLBNPSR1KLKB1KLK1KDM4E
SCHEMBL16881558 0.85 POLB (0.54) POLBNPSR1KLKB1KLK1KDM4E
SCHEMBL1768170 0.84 POLB (0.61) POLBNPSR1KDM4EALDH1A1L3MBTL1
SCHEMBL1240350 0.83 MAPT (0.56) POLBNPSR1KLKB1KDM4EALDH1A1
SCHEMBL4591947 0.83 POLB (0.61) POLBNPSR1KLKB1KLK1KDM4E
SCHEMBL16881026 0.83 POLB (0.56) POLBNPSR1KLKB1KLK1KDM4E
Hydrochloric Acid SCHEMBL9523272 0.82 KDM4E (0.60) POLBNPSR1KDM4EALDH1A1L3MBTL1
SCHEMBL16891528 0.81 MAPT (0.61) POLBNPSR1KLKB1KDM4EALDH1A1
SCHEMBL16246832 0.81 POLB (0.54) POLBNPSR1KLKB1KLK1KDM4E
SCHEMBL15873869 0.81 POLB (0.54) POLBNPSR1KLKB1KLK1KDM4E

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-4308125-B1 PLASMA KALLIKREIN INHIBITORS MERCK SHARP & DOHME LLC (US) 2026-04-22 EP 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
US-20240226106-A1 INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES (US) 2024-07-11 US disclosed
US-20240190892-A1 PLASMA KALLIKREIN INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-06-13 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 (2 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-20240190892-A1 PLASMA KALLIKREIN INHIBITORS KLKB1, SERPINE1, SERPINB1 POLB 4437/4885NPSR1 2119/4885KLKB1 1/4885
US-20240226106-A1 INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK5, KLK1 POLB 4699/4885NPSR1 1182/4885KLKB1 1/4885

“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.