Sugi Predict

Sugi Predict / Compounds / SCHEMBL546217

SCHEMBL546217

SCHEMBL546217

CSc1ccc(N=C=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.50
▸ TSHR P16473 1/20 0.50
▸ NOS3 P29474 2/20 0.47
▸ NOS1 P29475 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ TRPA1 O75762 1/20 0.44
▸ MAPK1 P28482 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ CYP1A2 P05177 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ SLC6A4 P31645 3/20 0.36
▸ PLK1 P53350 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.34
▸ GABRA1 P14867 1/20 0.33
▸ GABRB2 P47870 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ FBP1 P09467 1/20 0.33
▸ ACHE P22303 1/20 0.33

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
SCHEMBL8724560 0.86 HPGD (0.48) CYP3A4TSHRNOS3NOS1ALDH1A1
SCHEMBL7526584 0.83 ALDH1A1 (0.49) CYP3A4TSHRALDH1A1TDP1CYP1A2
SCHEMBL11718768 0.82 CYP3A4 (0.46) CYP3A4TSHRNOS3NOS1ALDH1A1
SCHEMBL18245115 0.81 NOS3 (0.50) NOS3NOS1ALDH1A1MAPK1TDP1
SCHEMBL739866 0.81 CYP3A4 (0.54) CYP3A4TSHRTRPA1MAPK1TDP1
SCHEMBL484003 0.81 CYP3A4 (0.54) CYP3A4TSHRNOS1ALDH1A1TRPA1
SCHEMBL15430 0.80 CYP3A4 (0.70) CYP3A4TSHRALDH1A1TRPA1MAPK1
SCHEMBL1021082 0.77 P2RY6 (0.50) CYP3A4NOS3NOS1ALDH1A1MAPK1
SCHEMBL28485807 0.77 NOS3 (0.47) NOS3NOS1ALDH1A1MAPK1TDP1
SCHEMBL11856992 0.77 CYP3A4 (0.50) CYP3A4TSHRTRPA1MAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240154124-A1 NEGATIVE ELECTRODE PLATE AND LITHIUM-ION BATTERY COMPRISING SAME ZHUHAI COSMX BATTERY CO., LTD. (CN) 2024-05-09 — — US claimed
CN-115386245-A Preparation method and application of lipophilic carbon nitride nanosheet 浙江理工大学 2022-11-25 — — CN claimed
EP-3403651-B1 ISOCORYDINE DERIVATIVES, PREPARATION METHOD AND USE THEREOF LANZHOU INST CHEMICAL PHYSICS CAS (CN) 2019-10-30 — — EP claimed
US-20180334448-A1 Isocorydine derivatives, preparation method and use thereof LANZHOU INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2018-11-22 — — US claimed
EP-3403651-A1 ISOCORYDINE DERIVATIVES, PREPARATION METHOD AND USE THEREOF Lanzhou Institute Of Chemical Physics Chinese Academy of Sciences (CN) 2018-11-21 — — EP claimed
EP-1754705-A2 Antagonists for treatment of CD11/CD18 adhesion receptor mediated disorders Genentech, Inc. (US) 2007-02-21 — — EP claimed
US-20240154124-A1 NEGATIVE ELECTRODE PLATE AND LITHIUM-ION BATTERY COMPRISING SAME ZHUHAI COSMX BATTERY CO., LTD. (CN) 2024-05-09 — — US disclosed
CN-117510429-A Compound containing methyl isoxazole structure, and preparation method and application thereof 中国农业大学 2024-02-06 — — CN disclosed
CN-113851656-B Negative electrode piece and lithium ion battery comprising same 珠海冠宇电池股份有限公司 2023-08-15 — — CN disclosed
US-20230219893-A1 Krüppel-Like Factor 15 (KLF15) Small Molecule Agonists in Kidney Disease US GOV VETERANS AFFAIRS (US) 2023-07-13 — — US disclosed
US-20230219893-A1 Krüppel-Like Factor 15 (KLF15) Small Molecule Agonists in Kidney Disease US GOV VETERANS AFFAIRS (US) 2023-07-13 — — US disclosed
CN-116265474-A Novel camptothecins compound, pharmaceutical composition and application thereof 江苏吉贝尔药业股份有限公司 2023-06-20 — — CN disclosed
US-11643394-B2 Krüppel-like factor 15 (KLF15) small molecule agonists in kidney disease ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2023-05-09 — — US disclosed
US-3998958-A Pyrrolidylidene, piperidylidene and hexahydroazepinylidene ureas as CNS depressants MCNEIL LABORATORIES, INCORPORATED (US) 1976-12-21 — — US disclosed
US-3994886-A ANTIBACTERIAL RECHERCHE ET INDUSTRIE THERAPEUTIQUES (R.I.T.) (BE) 1976-11-30 — — US disclosed
US-3994887-A ANTIBACTERIAL RECHERCHE ET INDUSTRIE THERAPEUTIQUES (R.I.T.) (BE) 1976-11-30 — — US disclosed
US-3979427-A RHODIUM TRICHLORIDE AND COBALT IODIDE CATALYST OLIN CORPORATION (US) 1976-09-07 — — US disclosed
US-3966947-A Pyridyl phenyl-carbamate rodenticide ROHM AND HAAS COMPANY (US) 1976-06-29 — — US disclosed
US-3934019-A FUNGICIDE, INSECTICIDE, MITICIDE BAYER AKTIENGESELLSCHAFT (DT) 1976-01-20 — — US disclosed
US-3931202-A Pyridyl phenyl-carbamate rodenticides ROHM AND HAAS COMPANY (US) 1976-01-06 — — 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 (3 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-11643394-B2 Krüppel-like factor 15 (KLF15) small molecule agonists in kidney disease KIF15, KLF5, KLF10 CYP3A4 4681/4885TSHR 3539/4885NOS3 2366/4885
US-20180334448-A1 Isocorydine derivatives, preparation method and use thereof CCND2, CCND3, IDH3A CYP3A4 1775/4885TSHR 2078/4885NOS3 197/4885
US-20230219893-A1 Krüppel-Like Factor 15 (KLF15) Small Molecule Agonists in Kidney Disease KIF15, KLF5, KLF10 CYP3A4 4681/4885TSHR 3539/4885NOS3 2366/4885

“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.