SCHEMBL4635493

SCHEMBL4635493

COC(=O)Cc1cc(Cl)ccc1Br

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
AKR1C3 P42330 1/20 0.41
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HSP90AB1 P08238 1/20 0.40
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
ABL1 P00519 1/20 0.39
HTT P42858 2/20 0.39
ACLY P53396 1/20 0.39
THRB P10828 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPK1 P28482 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL29958566 1.00 MAPT (0.43) MAPTAKR1C3ALDH1A1MEN1KMT2A
SCHEMBL23243620 0.87 MAPT (0.43) MAPTAKR1C3ALDH1A1MEN1KMT2A
SCHEMBL29632664 0.87 MAPT (0.43) MAPTAKR1C3ALDH1A1MEN1KMT2A
SCHEMBL31053255 0.84 GAA (0.49) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL7886929 0.84 GAA (0.49) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL5954084 0.83 HPGD (0.42) ALDH1A1MEN1KMT2AHSP90AB1KDM4E
SCHEMBL7133160 0.83 MAPT (0.49) MAPTAKR1C3ALDH1A1MEN1KMT2A
SCHEMBL19974304 0.83 MTNR1A (0.50) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL31092358 0.83 MTNR1A (0.50) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL13136740 0.82 MAPT (0.42) MAPTAKR1C3ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240382482-A1 PLASMA KALLIKREIN INHIBITORS TAKEDA PHARMACEUTICALS CO (JP) 2024-11-21 US disclosed
EP-4401728-A1 CYCLIC SULFONAMIDE RIBONUCLEOTIDE REDUCTASE (RNR) INHIBITORS AND USES THEREOF Boundless Bio, Inc. (US) 2024-07-24 EP disclosed
EP-4308228-A1 PLASMA KALLIKREIN INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2024-01-24 EP disclosed
WO-2023043923-A1 CYCLIC SULFONAMIDE RIBONUCLEOTIDE REDUCTASE (RNR) INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. (US) 2023-03-23 WO disclosed
WO-2022197756-A1 PLASMA KALLIKREIN INHIBITORS SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 WO disclosed
EP-1928829-A1 PIPERIDINE DERIVATIVES AS ANTAGONISTS OF THE CC CHEMOKINE RECEPTOR CCR1 AND THEIR USE AS ANTI-INFLAMMATORY AGENTS Schering Aktiengesellschaft (DE) 2008-06-11 EP disclosed
EP-1383501-B1 ACYLATED PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS MERCK & CO INC (US) 2007-04-04 EP disclosed
US-20060167044-A1 Piperidine derivatives and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-07-27 US disclosed
WO-2006066948-A1 PIPERIDINE DERIVATIVES AS ANTAGONISTS OF THE CC CHEMOKINE RECEPTOR CCR1 AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-29 WO disclosed
CN-1633297-A Acylated piperidine derivatives as melanocortin-4 receptor agonists MERCK & CO INC (US) 2005-06-29 CN disclosed
CN-1046711-C Unsaturated hydroxyalkyl quinoline carboxylic acids as leukotriene antagonists MERCK FROSST CANADA INC (CA) 1999-11-24 CN disclosed
US-5856322-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, CARDIOVASCULAR DISORDERS MERCK FROSST CANADA, INC. (CA) 1999-01-05 US disclosed
EP-0480717-B1 Unsaturated hydroxyalkylquinoline acids as leukotriene antagonists MERCK FROSST CANADA INC (CA) 1998-04-15 EP disclosed
US-5565473-A USEFUL AS ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY AND CYTOPROTECTIVE AGENTS; MONTELUKAST AND ITS SODIUM SALT MERCK FROSST CANADA, INC. (CA) 1996-10-15 US disclosed
US-5428033-A Useful as anti-asthmatic, anti-allergic, anti-inflammatory and cytoprotecyive agents MERCK FROSST CANADA, INC. (CA) 1995-06-27 US disclosed
US-5270324-A Fluorinated hydroxyalkylquinoline acids as leukotriene antagonists MERCK FROSST CANADA, INC. (CA) 1993-12-14 US disclosed
CN-1061408-A Saturated hydroxyalkyl quinolinic acids as leukotriene antagonists MERCK FROSST CANADA INC (US) 1992-05-27 CN disclosed
CN-1061407-A Unsaturated hydroxyalkyl quinoline carboxylic acids as leukotriene antagonists MERCK FROSST CANADA INC (CA) 1992-05-27 CN disclosed
EP-0480716-A1 Saturated hydroxyalkylquinoline acids as leukotriene antagonists MERCK FROSST CANADA INC. (CA) 1992-04-15 EP disclosed
EP-0480717-A1 Unsaturated hydroxyalkylquinoline acids as leukotriene antagonists MERCK FROSST CANADA INC. (CA) 1992-04-15 EP 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-20240382482-A1 PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 MAPT 3323/4885AKR1C3 152/4885ALDH1A1 3175/4885
US-20060167044-A1 Piperidine derivatives and their use as anti-inflammatory agents CCR1, CCR2, CCR3 MAPT 3394/4885AKR1C3 1062/4885ALDH1A1 296/4885

“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.