SCHEMBL852447

SCHEMBL852447

COC(=O)c1c(Cl)cccc1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
GAA P10253 2/20 0.49
LMNA P02545 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
POLB P06746 3/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
F2R P25116 1/20 0.46
ALDH1A1 P00352 3/20 0.45
NR4A2 P43354 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
ALOX5 P09917 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
SCHEMBL30016875 0.88 ALDH1A1 (0.54) CA12CA1CA2CA7CA9
SCHEMBL851838 0.86 CA1 (0.61) CA12CA1CA2CA7CA9
SCHEMBL517538 0.86 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL8564502 0.83 CA12 (0.77) CA12CA1CA2CA7CA9
SCHEMBL30294312 0.81 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL22852766 0.81 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL4627944 0.79 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL485070 0.79 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL29445387 0.79 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL7671969 0.79 CA12 (0.53) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116854631-B 4-Aryl-2-pyridone compound and preparation method thereof 安徽中医药大学 2025-04-15 CN claimed
CN-116854631-A 4-aryl-2-pyridone compound and preparation method thereof 安徽中医药大学 2023-10-10 CN claimed
CN-116854631-B 4-Aryl-2-pyridone compound and preparation method thereof 安徽中医药大学 2025-04-15 CN disclosed
CN-119019315-A 10, 10-Dimethyl anthrone derivative and organic electroluminescent device thereof 西安欧得光电材料有限公司 2024-11-26 CN disclosed
US-20240298527-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME LT MATERIALS CO., LTD. (KR) 2024-09-05 US disclosed
CN-118084844-A PI3K alpha inhibitor and application thereof in medicine 西藏海思科制药有限公司 2024-05-28 CN disclosed
CN-114269756-B 4-Oxo-3, 4-dihydropyrido [3,4-D ] pyrimidine compounds that inhibit EIF4E 效应疗法股份有限公司 2024-05-14 CN disclosed
CN-116854631-A 4-aryl-2-pyridone compound and preparation method thereof 安徽中医药大学 2023-10-10 CN disclosed
US-20230108594-A1 EIF4E-INHIBITING COMPOUNDS AND METHODS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2023-04-06 US disclosed
US-20230016632-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, COMPOSITION FOR ORGANIC MATERIAL LAYER OF ORGANIC LIGHT-EMITTING DEVICE, AND METHOD FOR MANUFACTURING ORGANIC LIGHT-EMITTING DEVICE LT MATERIALS CO.,LTD. (KR) 2023-01-19 US disclosed
WO-2022260240-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 엘티소재주식회사 2022-12-15 WO disclosed
WO-2010135560-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-11-25 WO disclosed
US-20100298292-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-11-25 US disclosed
WO-2010073714-A1 PROCESS FOR PRODUCING ORGANOLITHIUM COMPOUND AND PROCESS FOR PRODUCING SUBSTITUTED AROMATIC COMPOUND 日本曹達株式会社 (JP) 2010-07-01 WO disclosed
EP-1501787-B1 N-BIPHENYLMETHYL AMINOCYCLOALKANECARBOXAMIDE DERIVATIVES WITH A SUBSTIITUENT ON THE METHYL USEFUL AS BRADYKININ ANTAGONISTS MERCK & CO INC (US) 2005-11-09 EP disclosed
US-6919343-B2 N-biphenyl(substituted methyl) aminocycloalkane-carboxamide derivatives MERCK & CO., INC. (US) 2005-07-19 US disclosed
US-20050084463-A1 N-biphenylmethyl aminocycloalkanecarboxamide derivatives with a substiituent on the methyl useful as bradykinin antagonists WOOD MICHAEL R (US) 2005-04-21 US disclosed
EP-1501787-A1 N-BIPHENYLMETHYL AMINOCYCLOALKANECARBOXAMIDE DERIVATIVES WITH A SUBSTIITUENT ON THE METHYL USEFUL AS BRADYKININ ANTAGONISTS Merck & Co., Inc. (US) 2005-02-02 EP disclosed
US-20030220375-A1 N-biphenyl(substituted methyl) aminocycloalkane-carboxamide derivatives MERCK SHARP & DOHME LLC 2003-11-27 US disclosed
WO-2003066577-A1 N-BIPHENYLMETHYL AMINOCYCLOALKANECARBOXAMIDE DERIVATIVES WITH A SUBSTIITUENT ON THE METHYL USEFUL AS BRADYKININ ANTAGONISTS MERCK & CO., INC. (US) 2003-08-14 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 (6 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-20100298292-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C CA12 4343/4885CA1 3888/4885CA2 2905/4885
US-20240298527-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME CRY1, CYP1A1, CYP1B1 CA12 1938/4885CA1 2855/4885CA2 3606/4885
US-20030220375-A1 N-biphenyl(substituted methyl) aminocycloalkane-carboxamide derivatives BDKRB1, BDKRB2, CNR2 CA12 4347/4885CA1 3847/4885CA2 3047/4885
US-20230016632-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, COMPOSITION FOR ORGANIC MATERIAL LAYER OF ORGANIC LIGHT-EMITTING DEVICE, AND METHOD FOR MANUFACTURING ORGANIC LIGHT-EMITTING DEVICE CYP1A1, CYP1B1, CRY1 CA12 2548/4885CA1 2782/4885CA2 4265/4885
US-20050084463-A1 N-biphenylmethyl aminocycloalkanecarboxamide derivatives with a substiituent on the methyl useful as bradykinin antagonists BDKRB1, BDKRB2, CNR2 CA12 4381/4885CA1 3567/4885CA2 2457/4885
US-20230108594-A1 EIF4E-INHIBITING COMPOUNDS AND METHODS EIF4E, EIF4EBP1, EIF4A1 CA12 4756/4885CA1 4360/4885CA2 3157/4885

“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.