SCHEMBL5962751

SCHEMBL5962751

CCOC(=O)CCCCc1cccnc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 11/20 0.64
TDP1 Q9NUW8 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
CYP4F2 P78329 1/20 0.52
CYP4A11 Q02928 1/20 0.52
CYP4Z1 Q86W10 1/20 0.51
ALDH1A1 P00352 1/20 0.51
ALOX5 P09917 1/20 0.50
CHRNA7 P36544 1/20 0.49
HRH1 P35367 2/20 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
SCHEMBL30178297 1.00 TBXAS1 (0.64) TBXAS1TDP1L3MBTL1CYP4F2CYP4A11
SCHEMBL10622938 0.96 TBXAS1 (0.57) TBXAS1TDP1L3MBTL1CYP4Z1ALDH1A1
Bromide SCHEMBL28464116 0.91 TDP1 (0.58) TBXAS1TDP1L3MBTL1
SCHEMBL3957320 0.90 CYP4F2 (0.55) TBXAS1TDP1L3MBTL1CYP4F2CYP4A11
Hydrochloric Acid SCHEMBL27552763 0.88 CYP4F2 (0.54) TBXAS1TDP1L3MBTL1CYP4F2CYP4A11
Hydrochloric Acid SCHEMBL18230734 0.88 CYP4F2 (0.54) TBXAS1TDP1L3MBTL1CYP4F2CYP4A11
SCHEMBL10972402 0.85 TBXAS1 (0.68) TBXAS1TDP1L3MBTL1CHRNA7HRH1
SCHEMBL6642146 0.84 TBXAS1 (0.68) TBXAS1TDP1L3MBTL1CHRNA7HRH1
SCHEMBL6642413 0.84 TBXAS1 (0.68) TBXAS1TDP1L3MBTL1CHRNA7HRH1
SCHEMBL27622791 0.82 CHRNA7 (0.61) TBXAS1TDP1L3MBTL1CHRNA7HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115623-B2 PDE IV inhibitors ASKA PHARMACEUTICALS CO., LTD. (JP) 2006-10-03 US disclosed
CN-1224624-C 1, 8-naphthyridin-2 (1H) -one derivatives GRELAN PHARMACEUTICAL CO (JP) 2005-10-26 CN disclosed
US-20040176365-A1 Pde IV inhibitors ASKA PHARMACEUTICAL CO., LTD. (JP) 2004-09-09 US disclosed
EP-1403270-A1 PDE IV INHIBITORS Grelan Pharmaceutical Co., Ltd. (JP) 2004-03-31 EP disclosed
EP-1236725-B1 NOVEL 1,8-NAPHTHYRIDIN-2(1H)-ONE DERIVATIVES GRELAN PHARMACEUTICAL CO (JP) 2004-03-10 EP disclosed
US-6642250-B2 As phosphodiesterase inhibitor for prophylaxis and therapy of bronchial asthma; pneumonic diseases, pulmonary emphysema, chronic obstructive pulmonary disease acute respiratory distress syndrome (ARDS), and other respiratory diseases GRELAN PHARMACEUTICAL CO., LTD. (JP) 2003-11-04 US disclosed
CN-1407984-A Novel 1, 8-naphthyridin-2 (1H) -one derivatives GRELAN PHARMACEUTICAL CO (JP) 2003-04-02 CN disclosed
US-20030036651-A1 Novel 1,8-naphthyridin-2(1h)-one derivatives GRELAN PHARMACEUTICAL CO., LTD. (JP) 2003-02-20 US disclosed
EP-1236725-A1 NOVEL 1,8-NAPHTHYRIDIN-2(1H)-ONE DERIVATIVES Grelan Pharmaceutical Co., Ltd. (JP) 2002-09-04 EP disclosed
US-5103007-A Antitumor agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-04-07 US disclosed
US-5081245-A Selective antitumor agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-01-14 US disclosed
EP-0378763-A1 Lipids, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-07-25 EP disclosed
EP-0356765-A2 Carboxylic acid derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-03-07 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 (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-20040176365-A1 Pde IV inhibitors PDE3B, PDE3A, PDE2A TBXAS1 169/4885TDP1 876/4885L3MBTL1 4199/4885
US-20030036651-A1 Novel 1,8-naphthyridin-2(1h)-one derivatives PDE3B, PDE4A, PDE4B TBXAS1 89/4885TDP1 450/4885L3MBTL1 4386/4885

“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.