SCHEMBL64891

SCHEMBL64891

COC(=O)CCc1cccnc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 10/20 0.59
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51
LTA4H P09960 1/20 0.51
HDAC1 Q13547 1/20 0.51
NAPRT Q6XQN6 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.49

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
Biphenyl SCHEMBL27548623 0.93 CYP1A2 (0.55) TBXAS1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6642234 0.90 TBXAS1 (0.60) TBXAS1LTA4H
SCHEMBL10972402 0.89 TBXAS1 (0.68) TBXAS1LTA4H
SCHEMBL6642146 0.88 TBXAS1 (0.68) TBXAS1CYP3A4LTA4H
SCHEMBL6642413 0.88 TBXAS1 (0.68) TBXAS1CYP3A4LTA4H
SCHEMBL31556473 0.86 TBXAS1 (0.58) TBXAS1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3957320 0.84 CYP4F2 (0.55) TBXAS1ALDH1A1
SCHEMBL12646562 0.83 HDAC1 (0.60) TBXAS1CYP11B1CYP11B2HDAC1KDM4E
SCHEMBL29466814 0.83 NAPRT (0.62) CYP1A2CYP3A4CYP2C9NAPRTKDM4E
SCHEMBL178130 0.83 NAPRT (0.62) CYP1A2CYP3A4CYP2C9NAPRTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1719768-B1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS ASAHI KASEI PHARMA CORP (JP) 2012-04-25 EP claimed
EP-1535913-B1 NOVEL QUATERNARY AMMONIUM COMPOUNDS ASAHI KASEI PHARMA CORP (JP) 2011-11-02 EP claimed
CN-1930137-B Benzothiazepine and benzoazepine compounds ASAHI KASEI PHARMA CORP 2011-07-20 CN claimed
US-7973030-B2 Benzothiazepine and benzothiepine compounds ASAHI KASEI PHARMA CORPORATION (JP) 2011-07-05 US claimed
US-7312208-B2 Quaternary ammonium compounds ASAHI KASEI PHARMA CORPORATION (JP) 2007-12-25 US claimed
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds ASHAI KASEI PHARAMA CORPORATION (JP) 2007-08-16 US claimed
CN-1930137-A Novel benzothiazepine * and benzothiepine compounds ASAHI KASEI PHARMA CORP (JP) 2007-03-14 CN claimed
EP-1719768-A1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS Asahi Kasei Pharma Corporation (JP) 2006-11-08 EP claimed
EP-1535913-A1 NOVEL QUATERNARY AMMONIUM COMPOUNDS Asahi Kasei Pharma Corporation (JP) 2005-06-01 EP claimed
US-20050009805-A1 Novel quaternary ammonium compounds ASAHI KASEI PHARMA CORPORATION (JP) 2005-01-13 US claimed
EP-0070185-A1 Preparation of lower alkyl 2-formyl-3-(6-methyl-3-pyridinyl)-propionates SMITHKLINE BECKMAN CORPORATION (US) 1983-01-19 EP claimed
CN-116685576-A Cysteine protease inhibitors and methods of use thereof 美商帕迪斯生物科学公司 2023-09-01 CN disclosed
CN-115605474-A Microbicidal quinoline dihydro- (thiazine) oxazine derivatives 先正达农作物保护股份公司(CH) 2023-01-13 CN disclosed
US-10301267-B2 Compounds ASTRAZENECA AB (SE) 2019-05-28 US disclosed
US-20170260143-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2017-09-14 US disclosed
EP-0912176-A1 USE OF PYRIDYL ALKANE, PYRIDYL ALKENE AND/OR PYRIDYL ALKINE ACID AMIDES IN THE TREATMENT OF TUMORS OR FOR IMMUNOSUPPRESSION Klinge Pharma GmbH (DE) 1999-05-06 EP disclosed
US-5624922-A Aryl-fused and hetaryl-fused-2,4-diazepine and 2,4-diazocine antiarrhythmic agents STERLING WINTHROP INC. (US) 1997-04-29 US disclosed
EP-0597540-B1 Aryl-fused and hetaryl-fused-2,4-diazocine antiarrhythmic agents STERLING WINTHROP INC (US) 1996-06-05 EP disclosed
US-5380721-A Aryl-fused and hetaryl-fused-2,4-diazepine and 2,4-diazocine antiarrhythmic agents STERLING WINTHROP INC. (US) 1995-01-10 US disclosed
EP-0597540-A1 Aryl-fused and hetaryl-fused-2,4-diazocine antiarrhythmic agents STERLING WINTHROP INC. (US) 1994-05-18 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 (4 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-10301267-B2 Compounds SLC10A1, CYP11B1, ABCB11 TBXAS1 1131/4885CYP1A2 95/4885CYP3A4 113/4885
US-20170260143-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 TBXAS1 523/4885CYP1A2 530/4885CYP3A4 594/4885
US-20050009805-A1 Novel quaternary ammonium compounds SLC10A1, GOT1, ACAT2 TBXAS1 602/4885CYP1A2 1789/4885CYP3A4 1588/4885
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds SLC10A1, GOT1, CES1 TBXAS1 273/4885CYP1A2 851/4885CYP3A4 562/4885

“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.