SCHEMBL2638149

SCHEMBL2638149

O=C(O)CCC(=O)c1cccnc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLOD2 O00469 2/20 0.66
▸ NR4A2 P43354 1/20 0.62
▸ ALDH1A1 P00352 2/20 0.60
▸ GAA P10253 2/20 0.60
▸ APP P05067 1/20 0.60
▸ HCAR3 P49019 1/20 0.60
▸ HCAR2 Q8TDS4 1/20 0.60
▸ TBXAS1 P24557 9/20 0.58
▸ HDAC1 Q13547 1/20 0.58
▸ HDAC8 Q9BY41 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ CTNNB1 P35222 1/20 0.56
▸ WNT3A P56704 1/20 0.56
▸ PLOD3 O60568 1/20 0.54
▸ PLOD1 Q02809 1/20 0.54
▸ TBXA2R P21731 1/20 0.54
▸ F7 P08709 1/20 0.53
▸ F3 P13726 1/20 0.53
▸ SARM1 Q6SZW1 1/20 0.53

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
SCHEMBL29450185 1.00 PLOD2 (0.66) PLOD2NR4A2ALDH1A1GAAAPP
SCHEMBL7075878 0.92 PLOD2 (0.69) PLOD2ALDH1A1GAAAPPHCAR3
SCHEMBL9199313 0.91 PLOD2 (0.79) PLOD2NR4A2ALDH1A1GAAAPP
SCHEMBL3939109 0.89 HDAC1 (0.63) PLOD2TBXAS1HDAC1HDAC8TBXA2R
SCHEMBL3380708 0.88 HDAC1 (0.70) TBXAS1HDAC1HDAC8TBXA2R
SCHEMBL9466134 0.86 PLOD2 (0.68) PLOD2ALDH1A1GAAAPPHCAR3
SCHEMBL1987632 0.84 PLOD2 (0.59) PLOD2ALDH1A1GAAAPPHCAR3
Niacinamide SCHEMBL28768072 0.84 F7 (0.79) PLOD2ALDH1A1GAAAPPHCAR3
SCHEMBL5191849 0.84 F7 (0.61) PLOD2ALDH1A1GAAAPPHCAR3
SCHEMBL9405126 0.83 PLOD2 (0.62) PLOD2ALDH1A1GAAAPPHCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115340525-A Method for producing and processing synthetic nicotine 陕西雷曼生物科技有限公司 2022-11-15 — — CN claimed
CN-113121496-A Method for preparing bioactive (S) - (-) -nicotine 刘双红 2021-07-16 — — CN claimed
CN-110256403-B Method for preparing artificial synthetic nicotine 深圳市馨艺坊生物科技有限公司 2020-06-19 — — CN claimed
US-20240245099-A1 AEROSOL-GENERATING ARTICLE WITH BIOMARKER SENSOR PHILIP MORRIS PRODUCTS S.A. (CH) 2024-07-25 — — US disclosed
CN-114276204-B Preparation method of (S) - (-) -nicotine 大庆雾泰化工科技有限公司 2024-02-27 — — CN disclosed
CN-117295412-A Aerosol-generating article with biomarker sensor 菲利普莫里斯生产公司 2023-12-26 — — CN disclosed
US-11718588-B2 5-[(piperazin-1-yl)-3-oxo-propyl]-imidazolidine-2,4-dione derivatives as ADAMTS inhibitors for the treatment of osteoarthritis GALAPAGOS NV (BE) 2023-08-08 — — US disclosed
US-11555818-B2 Method for the diagnosis and prognosis of cancer The USA, as represted by the Secretary, Dept. of and Human Services, National Institutes of Health (US) 2023-01-17 — — US disclosed
WO-2022243270-A1 MOUTHPIECE WITH CAPILLARY CHANNEL FOR AN AEROSOL-GENERATING DEVICE PHILIP MORRIS PRODUCTS S.A. (CH) 2022-11-24 — — WO disclosed
CN-115340525-A Method for producing and processing synthetic nicotine 陕西雷曼生物科技有限公司 2022-11-15 — — CN disclosed
CN-114276204-A Preparation method of (S) - (-) -nicotine 大庆雾泰化工科技有限公司 2022-04-05 — — CN disclosed
WO-2001040187-A2 COMPOUND HAVING EFFECT OF PROMOTING NEURON DIFFERENTIATION NIPPON KAYAKU CO., LTD. (JP) 2001-06-07 — — WO disclosed
CN-1268937-A Novel compound having effect of promoting neuron differentiation NIPPON KAYAKU KK (JP) 2000-10-04 — — CN disclosed
EP-0999204-A1 NOVEL COMPOUND HAVING EFFECT OF PROMOTING NEURON DIFFERENTIATION Nippon Kayaku Kabushiki Kaisha (JP) 2000-05-10 — — EP disclosed
US-5994540-A HYDROXY- AND CHLORO-PYRIDYLPYRIDAZINONE DERIVATIVES LONZA, LTD. (CH) 1999-11-30 — — US disclosed
US-5760236-A CHEMICAL INTERMEDIATES FOR PHARMACEUTICALS LONZA, LTD. (CH) 1998-06-02 — — US disclosed
US-4342689-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1982-08-03 — — US disclosed
US-4342690-A HHYPOTENSIVE AGE TS AMERICAN CYANAMID COMPANY (US) 1982-08-03 — — US disclosed
US-4342691-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1982-08-03 — — US disclosed
US-4299769-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1981-11-10 — — 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-11718588-B2 5-[(piperazin-1-yl)-3-oxo-propyl]-imidazolidine-2,4-dione derivatives as ADAMTS inhibitors for the treatment of osteoarthritis ADAMTS1, ADAMTS5, ADAMTS7 PLOD2 222/4885NR4A2 2820/4885ALDH1A1 441/4885

“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.

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