SCHEMBL11485293

SCHEMBL11485293

C#CCOc1ccc(C)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.53
▸ MAOA P21397 4/20 0.50
▸ MAOB P27338 4/20 0.50
▸ ACHE P22303 1/20 0.44
▸ GSTP1 P09211 1/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA4 P22748 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ CHRNB2 P17787 5/20 0.43
▸ CHRNA4 P43681 5/20 0.43
▸ CHRNB4 P30926 2/20 0.43
▸ CHRNA3 P32297 2/20 0.43
▸ CHRNB1 P11230 1/20 0.42
▸ CHRNB3 Q05901 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GLA P06280 1/20 0.41

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
SCHEMBL12147804 0.81 GRM5 (0.53) GRM5CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL7940218 0.79 GRM5 (0.59) GRM5CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL11474709 0.78 GRM5 (0.57) GRM5CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL22043408 0.77 CA12 (0.47) MAOAMAOBACHEGSTP1CA12
SCHEMBL5704167 0.76 CA12 (0.63) MAOAMAOBACHEGSTP1CA12
SCHEMBL2669046 0.75 NQO1 (0.56) GRM5CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL384212 0.75 MAOB (0.56) GRM5MAOAMAOBACHEGSTP1
SCHEMBL17672869 0.74 KMT2A (0.46) GRM5CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL31390543 0.74 MAOB (0.41) MAOAMAOBACHEGSTP1CA12
Hydrochloric Acid SCHEMBL21694040 0.74 CA12 (0.61) MAOAMAOBACHEGSTP1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119499407-A Fe-based T7 peptide targeted brain glioma micromolecular magnetic resonance contrast agent and preparation and synthesis method and application thereof 中国科学院精密测量科学与技术创新研究院 2025-02-25 — — CN disclosed
US-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-09-14 — — US disclosed
US-20200172486-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-06-04 — — US disclosed
US-8334236-B2 Ring-fused 2-pyridone derivatives and herbicides KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2012-12-18 — — US disclosed
US-20110287937-A1 RING-FUSED 2-PYRIDONE DERIVATIVES AND HERBICIDES IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2011-11-24 — — US disclosed
US-4220577-A Iodopropargyl pyridyl and picolinyl ethers and thioethers as paint fungicides GIVAUDAN CORPORATION (US) 1980-09-02 — — US disclosed
US-4170704-A STABLE TO HEAT AND LIGHT GIVAUDAN CORPORATION (US) 1979-10-09 — — 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-20110287937-A1 RING-FUSED 2-PYRIDONE DERIVATIVES AND HERBICIDES CBR3, CBR1, CHRM1 GRM5 690/4885MAOA 1046/4885MAOB 793/4885
US-20200172486-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CBR3, CBR1 GRM5 1405/4885MAOA 262/4885MAOB 241/4885
US-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CBR3, CBR1 GRM5 1405/4885MAOA 262/4885MAOB 241/4885

“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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