SCHEMBL2629356

SCHEMBL2629356

CC(=O)NCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.59
HDAC1 Q13547 3/20 0.59
HDAC6 Q9UBN7 2/20 0.59
KMT2A Q03164 1/20 0.58
MTOR P42345 2/20 0.56
HDAC3 O15379 2/20 0.55
HDAC2 Q92769 2/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
ALDH1A1 P00352 1/20 0.53
POLB P06746 1/20 0.53
MAPT P10636 1/20 0.53
RAB9A P51151 1/20 0.53
NAMPT P43490 1/20 0.53
MAPK14 Q16539 1/20 0.52
EPHX2 P34913 2/20 0.52
PPARG P37231 2/20 0.52
PPARA Q07869 1/20 0.52
KIF11 P52732 1/20 0.51

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
SCHEMBL3630497 0.95 LSS (0.55) LSSHDAC1HDAC6KMT2AMTOR
Trifluoroacetic Acid SCHEMBL3631651 0.89 KMT2A (0.51) LSSHDAC1HDAC6KMT2AMTOR
SCHEMBL3417449 0.86 LSS (0.56) LSSHDAC1HDAC6MTORHDAC3
Cadaverine Tartrate SCHEMBL3634786 0.85 PPARA (0.51) LSSHDAC1HDAC6KMT2AMTOR
SCHEMBL24575984 0.85 MTOR (0.69) LSSHDAC1HDAC6KMT2AMTOR
SCHEMBL12133623 0.84 KMT2A (0.76) HDAC1HDAC6KMT2AHDAC3HDAC2
SCHEMBL5988091 0.84 HDAC1 (0.57) HDAC1HDAC6KMT2AHDAC3HDAC2
SCHEMBL1695141 0.83 MTOR (0.58) LSSHDAC1HDAC6KMT2AMTOR
SCHEMBL4403136 0.83 EPHX2 (0.68) HDAC1HDAC6KMT2AHDAC3HDAC8
SCHEMBL934145 0.82 HDAC3 (0.60) LSSHDAC1HDAC6MTORHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3280707-B1 BICYCLIC QUINAZOLINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-12-20 EP claimed
JP-2007530524-A 2007-11-01 JP claimed
EP-1730141-A1 COMPOUNDS FOR THE TREATMENT OF DISEASES Pfizer Limited (GB) 2006-12-13 EP claimed
EP-1730103-A1 FORMAMIDE DERIVATIVES USEFUL AS ADRENOCEPTOR Pfizer Limited (GB) 2006-12-13 EP claimed
EP-1708992-A1 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES Pfizer Limited (GB) 2006-10-11 EP claimed
WO-2005092840-A1 FORMAMIDE DERIVATIVES USEFUL AS ADRENOCEPTOR PFIZER LIMITED (GB) 2005-10-06 WO claimed
WO-2005092887-A1 COMPOUNDS FOR THE TREATMENT OF DISEASES PFIZER LIMITED (GB) 2005-10-06 WO claimed
WO-2005080324-A1 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES PFIZER LIMITED (GB) 2005-09-01 WO claimed
EP-3568133-B1 CELL-PROTECTIVE COMPOUNDS AND THEIR USE ETH ZUERICH (CH) 2023-12-13 EP disclosed
US-20230157996-A1 SMALL-MOLECULE INHIBITOR TARGETING EB VIRUS NUCLEAR ANTIGEN PROTEIN, PREPARATION METHOD AND USE THEREOF Shenzhen Bay Laboratory (CN) 2023-05-25 US disclosed
WO-2022224212-A1 GPR35 AGONIST COMPOUNDS HEPTARES THERAPEUTICS LIMITED (GB) 2022-10-27 WO disclosed
US-20220142985-A1 AGENTS FOR TREATMENT OF ALCOHOL USE DISORDER SERVICIO ANDALUZ DE SALUD (ES) 2022-05-12 US disclosed
CN-109824465-B Method for synthesizing amide by amine oxide catalyzed by bipyridine manganese catalyst 陕西师范大学 2022-01-04 CN disclosed
EP-3834888-A2 AGENTS FOR TREATMENT OF ALCOHOL USE DISORDER Servicio Andaluz De Salud (ES) 2021-06-16 EP disclosed
WO-2005092840-A1 FORMAMIDE DERIVATIVES USEFUL AS ADRENOCEPTOR PFIZER LIMITED (GB) 2005-10-06 WO disclosed
WO-2005092887-A1 COMPOUNDS FOR THE TREATMENT OF DISEASES PFIZER LIMITED (GB) 2005-10-06 WO disclosed
CN-1674883-A Ortho-substituted benzoic acid derivatives for the treatment of insulin resistance ASTRAZENECA AB (SE) 2005-09-28 CN disclosed
WO-2005080324-A1 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES PFIZER LIMITED (GB) 2005-09-01 WO disclosed
EP-1517679-A1 ORTHO-SUBSTITUTED BENZOIC ACID DERIVATIVES FOR THE TREATMENT OF INSULIN RESISTANCE AstraZeneca AB (SE) 2005-03-30 EP disclosed
WO-2004000294-A1 ORTHO-SUBSTITUTED BENZOIC ACID DERIVATIVES FOR THE TREATMENT OF INSULIN RESISTANCE ASTRAZENECA AB (SE) 2003-12-31 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 (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-20230157996-A1 SMALL-MOLECULE INHIBITOR TARGETING EB VIRUS NUCLEAR ANTIGEN PROTEIN, PREPARATION METHOD AND USE THEREOF SSB, EBNA1BP2, PML LSS 1266/4885HDAC1 346/4885HDAC6 1179/4885
US-20220142985-A1 AGENTS FOR TREATMENT OF ALCOHOL USE DISORDER ADH1A, ADH5, ADH1C LSS 2905/4885HDAC1 381/4885HDAC6 471/4885

“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.