SCHEMBL93290

SCHEMBL93290

CCc1ccccc1N=C=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.61
GABRB2 P47870 4/20 0.61
CYP3A4 P08684 4/20 0.54
SIGMAR1 Q99720 3/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
TSHR P16473 3/20 0.39
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
GAA P10253 1/20 0.39
TRPA1 O75762 1/20 0.38
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MGLL Q99685 1/20 0.35
MAPT P10636 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
SCHEMBL29795971 1.00 GABRA1 (0.61) GABRA1GABRB2CYP3A4SIGMAR1GRIN2D
SCHEMBL7001694 0.91 GABRA1 (0.52) GABRA1GABRB2CYP3A4SIGMAR1GRIN2D
SCHEMBL9623463 0.86 GABRA1 (0.47) GABRA1GABRB2CYP3A4SIGMAR1GRIN2D
SCHEMBL8943184 0.86 GABRA1 (0.61) GABRA1GABRB2CYP3A4SIGMAR1GRIN2D
SCHEMBL93143 0.86 GABRA1 (0.50) GABRA1GABRB2CYP3A4SIGMAR1GRIN2D
SCHEMBL722841 0.84 GABRA1 (0.47) GABRA1GABRB2CYP3A4SIGMAR1GRIN2D
SCHEMBL18701450 0.84 CYP3A4 (0.50) GABRA1GABRB2CYP3A4TSHRALDH1A1
SCHEMBL31109186 0.84 CYP3A4 (0.50) GABRA1GABRB2CYP3A4TSHRALDH1A1
SCHEMBL15544 0.84 CYP3A4 (0.50) GABRA1GABRB2CYP3A4TSHRALDH1A1
SCHEMBL661906 0.84 CYP3A4 (0.50) GABRA1GABRB2CYP3A4TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116396303-B Gimalane-guaiane sesquiterpene dimer and preparation method and application thereof 中国科学院昆明植物研究所 2025-02-18 CN claimed
CN-118184675-A Mugwort lactone I derivative and pharmaceutical composition thereof, and preparation method and application thereof 中国科学院昆明植物研究所 2024-06-14 CN claimed
CN-117621582-B Layered composite material and preparation method and application thereof 河北英利奥体育用品有限公司 2024-06-11 CN claimed
US-20240154124-A1 NEGATIVE ELECTRODE PLATE AND LITHIUM-ION BATTERY COMPRISING SAME ZHUHAI COSMX BATTERY CO., LTD. (CN) 2024-05-09 US claimed
CN-117964892-A Modified macromer, preparation method thereof and application thereof in polymer polyol 中国石油化工股份有限公司 2024-05-03 CN claimed
CN-117621582-A Layered composite material and preparation method and application thereof 河北英利奥体育用品有限公司 2024-03-01 CN claimed
CN-117510429-A Compound containing methyl isoxazole structure, and preparation method and application thereof 中国农业大学 2024-02-06 CN claimed
CN-116396303-A Gimalane-guaiane sesquiterpene dimer and preparation method and application thereof 中国科学院昆明植物研究所 2023-07-07 CN claimed
US-20230151136-A1 CATALYST COMPOSITION FOR POLYURETHANES MOMENTIVE PERFORMANCE MATERIALS INC. 2023-05-18 US claimed
US-20230134280-A1 CATALYSTS FOR THE FORMATION OF POLYURETHANES MOMENTIVE PERFORMANCE MATERIALS INC. 2023-05-04 US claimed
EP-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP claimed
US-20040215038-A1 Colorant precursor compositions XEROX CORPORATION 2004-10-28 US claimed
US-20040215002-A1 Colorant compositions XEROX CORPORATION 2004-10-28 US claimed
US-20040215022-A1 Colorant compositions XEROX CORPORATION 2004-10-28 US claimed
US-20040214918-A1 Colorant compositions XEROX CORPORATION 2004-10-28 US claimed
US-6790267-B1 METHINE COLORANT COMPOUNDS FOR PHASE CHANGE INKS XEROX CORPORATION 2004-09-14 US claimed
US-20040167249-A1 Phase change inks with isocyanate-derived antioxidants and UV stabilizers XEROX CORPORATION 2004-08-26 US claimed
US-6764541-B1 Colorant compositions XEROX CORPORATION 2004-07-20 US claimed
US-6652635-B2 Cyan phase change inks XEROX CORPORATION 2003-11-25 US claimed
US-20030079645-A1 Cyan phase change inks XEROX CORPORATION 2003-05-01 US claimed

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-20040215022-A1 Colorant compositions ARSA, TST, IK GABRA1 3037/4885GABRB2 3589/4885CYP3A4 974/4885
US-20040215038-A1 Colorant precursor compositions RB1, SULT1A1, CBR1 GABRA1 3481/4885GABRB2 4231/4885CYP3A4 106/4885

“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.