SCHEMBL4537533

SCHEMBL4537533

NC(=O)CCc1ccc(Br)cc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
HTR2A P28223 1/20 0.52
TAAR1 Q96RJ0 1/20 0.52
FFAR1 O14842 1/20 0.50
FFAR4 Q5NUL3 1/20 0.50
CAPN1 P07384 1/20 0.50
PDPK1 O15530 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
PRMT1 Q99873 1/20 0.45
POLB P06746 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
EPHX1 P07099 1/20 0.44
IDO1 P14902 1/20 0.44

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
SCHEMBL7845059 0.89 MEN1 (0.53) MEN1KMT2AHTR2ATAAR1FFAR1
SCHEMBL4685861 0.88 MEN1 (0.52) MEN1KMT2AHTR2ATAAR1EPHX1
SCHEMBL5037942 0.85 FFAR1 (0.75) MEN1KMT2AFFAR1FFAR4POLB
SCHEMBL4484073 0.82 FFAR1 (0.53) HTR2ATAAR1FFAR1FFAR4PDPK1
SCHEMBL7387259 0.81 S1PR1 (0.43) MEN1KMT2AFFAR1FFAR4SMN1; SMN2
SCHEMBL5455 0.80 FFAR1 (0.71) FFAR1FFAR4PDPK1ALDH1A1IDO1
SCHEMBL4667379 0.80 CAPN1 (0.52) FFAR1CAPN1ALDH1A1LMNAPRMT1
SCHEMBL18586398 0.80 CAPN1 (0.52) FFAR1CAPN1ALDH1A1LMNAPRMT1
SCHEMBL987884 0.80 GFER (0.56) FFAR1CAPN1ALDH1A1LMNAPRMT1
SCHEMBL154384 0.80 CA2 (0.61) MEN1KMT2ATAAR1CAPN1ALDH1A1

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114539158-B FXIa inhibitor compound and preparation method and application thereof 沈阳药科大学 2023-12-08 CN claimed
CN-115477684-A Substituted 3-thiazolidine-2,4-diketone Mcl-1 protein inhibitor, preparation method and application 湖南科技大学 2022-12-16 CN claimed
CN-114539158-A FXIa inhibitor compound and preparation method and application thereof 沈阳药科大学 2022-05-27 CN claimed
CN-1353609-B Amide substituted imidazoquinolines 3M INNOVATIVE PROPERTIES CO 2011-07-13 CN claimed
EP-1187613-B9 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2006-10-25 EP claimed
EP-1187613-B1 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2006-08-09 EP claimed
EP-1126833-A4 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES INC (US) 2004-09-08 EP claimed
CN-1353609-A Amide substituted imidazoquinolines 3M INNOVATIVE PROPERTIES CO (US) 2002-06-12 CN claimed
EP-1150565-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION bioscience AG (DE) 2001-11-07 EP claimed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP claimed
WO-2000045635-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2000-08-10 WO claimed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO claimed
CN-114539158-B FXIa inhibitor compound and preparation method and application thereof 沈阳药科大学 2023-12-08 CN disclosed
US-20230159492-A1 FERROPTOSIS INHIBITORS - DIARYLAMINE PARA-ACETAMIDES Sironax Ltd. (KY) 2023-05-25 US disclosed
US-20230159492-A1 FERROPTOSIS INHIBITORS - DIARYLAMINE PARA-ACETAMIDES Sironax Ltd. (KY) 2023-05-25 US disclosed
US-20230159492-A1 FERROPTOSIS INHIBITORS - DIARYLAMINE PARA-ACETAMIDES Sironax Ltd. (KY) 2023-05-25 US disclosed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP disclosed
WO-2000045635-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2000-08-10 WO disclosed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO disclosed
US-5039673-A Anticoagulants, bronchodilators, vasodilators GLAXO GROUP LIMITED (GB) 1991-08-13 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 (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-20230159492-A1 FERROPTOSIS INHIBITORS - DIARYLAMINE PARA-ACETAMIDES AIFM2, FECH, GPX4 MEN1 2123/4885KMT2A 2622/4885HTR2A 3661/4885

“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.