SCHEMBL7008145

SCHEMBL7008145

BrCCCCCCCOc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 2/20 0.73
HDAC1 Q13547 3/20 0.63
HDAC2 Q92769 3/20 0.63
HDAC3 O15379 1/20 0.63
HDAC4 P56524 1/20 0.63
HDAC7 Q8WUI4 1/20 0.63
HDAC10 Q969S8 1/20 0.63
HDAC11 Q96DB2 1/20 0.63
HDAC8 Q9BY41 1/20 0.63
HDAC6 Q9UBN7 1/20 0.63
HDAC9 Q9UKV0 1/20 0.63
HDAC5 Q9UQL6 1/20 0.63
TAAR1 Q96RJ0 1/20 0.52
ALDH1A1 P00352 1/20 0.52
RECQL P46063 1/20 0.52
DRD2 P14416 1/20 0.52
DRD4 P21917 1/20 0.52
DRD3 P35462 1/20 0.52
LTA4H P09960 2/20 0.52
HTR1B P28222 1/20 0.50

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
SCHEMBL9169690 1.00 KCNA3 (0.73) KCNA3HDAC1HDAC2HDAC3HDAC4
SCHEMBL1172113 1.00 KCNA3 (0.73) KCNA3HDAC1HDAC2HDAC3HDAC4
SCHEMBL1171574 1.00 KCNA3 (0.73) KCNA3HDAC1HDAC2HDAC3HDAC4
SCHEMBL7562039 1.00 KCNA3 (0.73) KCNA3HDAC1HDAC2HDAC3HDAC4
SCHEMBL7612512 1.00 KCNA3 (0.73) KCNA3HDAC1HDAC2HDAC3HDAC4
SCHEMBL23014989 1.00 KCNA3 (0.73) KCNA3HDAC1HDAC2HDAC3HDAC4
SCHEMBL311427 0.98 KCNA3 (0.76) KCNA3HDAC1HDAC2HDAC3HDAC4
SCHEMBL9631165 0.95 KCNA3 (0.73) KCNA3HDAC1HDAC2HDAC3HDAC4
SCHEMBL10390453 0.94 KCNA3 (0.64) KCNA3HDAC1HDAC2HDAC3HDAC4
SCHEMBL8536661 0.92 LTA4H (0.65) KCNA3HDAC1HDAC2HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1028955-B1 PYRIMIDINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM PLC (GB) 2003-07-16 EP disclosed
US-20020120139-A1 Pyrimidinone compounds and pharmaceutical compositions containing them HICKEY DEIRDRE MARY BERNADETTE (GB) 2002-08-29 US disclosed
US-6417192-B1 DRUGS WITH PYRIMIDONE COMPOUNDS INHIBITORS OF THE ENZYME LDL PLA.SUB.2 AND THEREFORE OF USE IN TREATING ATHEROSCLEROSIS. SMITHKLINE BEECHAM P.L.C. (GB) 2002-07-09 US disclosed
EP-1028955-A1 PYRIMIDINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SmithKline Beecham p.l.c. (GB) 2000-08-23 EP disclosed
US-6048989-A PARASITICIDES AND ANTIBROTOZOA AGENTS WASHINGTON UNIVERSITY (US) 2000-04-11 US disclosed
US-6025511-A A MYRISTIC ACID SELECTED ANALOGS FOR INHIBITING THE BIOSYNTHESIS OF THE GLYCOSYL PHOSPHATIDYLINOSITOL (GPI) ANCHOR OF THE PARASITE WASHINGTON UNIVERSITY (US) 2000-02-15 US disclosed
US-6001869-A CONTACTING THE PARASITE WITH 2-THIENYL-UNDECENOIC ACID/10-/ WASHINGTON UNIVERSITY (US) 1999-12-14 US disclosed
US-5998642-A Thienyl-containing fatty acid glycosyl phosphatidylinosital analogues used for inhibiting parasitic activity WASHINGTON UNIVERSITY (US) 1999-12-07 US disclosed
WO-1999024420-A1 PYRIMIDINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM PLC (GB) 1999-05-20 WO disclosed
US-5760259-A MYRISTIC ACID DERIVATIVES CAPABLE OF INHIBITING BIOSYNTHESIS OF PARASITE'S ANCHORING GROUP WASHINGTON UNIVERSITY (US) 1998-06-02 US disclosed
US-5747537-A Method of inhibiting parasitic activity WASHINGTON UNIVERSITY (US) 1998-05-05 US disclosed
US-4532345-A Process for preparing aryloxyalkylpyruvic acids ETHYL CORPORATION (US) 1985-07-30 US disclosed
EP-0134216-A4 PROCESS FOR PREPARING -g(a)-KETO-CARBOXYLIC ACIDS. ETHYL CORP (US) 1985-07-01 EP disclosed
EP-0134216-A1 PROCESS FOR PREPARING $g(a)-KETO-CARBOXYLIC ACIDS ETHYL CORPORATION (US) 1985-03-20 EP disclosed
EP-0044940-B1 AMINO-DESOXY-1.4;3.6-DIANHYDRO-HEXITE NITRATES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS Dr. Willmar Schwabe GmbH & Co. (DE) 1984-09-19 EP disclosed
WO-1984002699-A1 PROCESS FOR PREPARING alpha-KETO-CARBOXYLIC ACIDS ETHYL CORP (US) 1984-07-19 WO disclosed
US-4363805-A TREATMENT OF CORONARY DISEASE FIRMA WILLMAR SCHWABE (DE) 1982-12-14 US disclosed
EP-0044940-A1 Amino-desoxy-1.4;3.6-dianhydro-hexite nitrates, processes for their preparation and pharmaceutical compositions Dr. Willmar Schwabe GmbH & Co. (DE) 1982-02-03 EP disclosed
US-4171376-A Aryloxyalkyl keto-esters STERLING DRUG INC. (US) 1979-10-16 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-20020120139-A1 Pyrimidinone compounds and pharmaceutical compositions containing them PLA2G7, PLA2G1B, PLA2G4C KCNA3 4392/4885HDAC1 3256/4885HDAC2 2533/4885

“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.