SCHEMBL3055509

SCHEMBL3055509

COc1cnn(C)c(=O)c1[Sn](C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.36
▸ ATM Q13315 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ GLA P06280 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ ITGA4 P13612 6/20 0.36
▸ ITGB7 P26010 6/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KAT2B Q92831 2/20 0.35
▸ BRD9 Q9H8M2 1/20 0.35

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
SCHEMBL22016864 0.76 ALDH1A1 (0.41) ALDH1A1ATMHPGDKDM4EHTT
SCHEMBL466352 0.74 ALDH1A1 (0.55) ALDH1A1ATMHPGDGAARAB9A
SCHEMBL4498149 0.74 RAB9A (0.55) ALDH1A1ATMHPGDKDM4EHTT
SCHEMBL22016782 0.71 ITGA4 (0.38) ALDH1A1ATMHPGDKDM4EHTT
SCHEMBL22031949 0.71 KAT2B (0.39) ALDH1A1ATMHPGDKDM4EHTT
SCHEMBL20956636 0.70 CA12 (0.43) ALDH1A1KDM4EHTTITGA4ITGB7
SCHEMBL509614 0.67 CRHR1 (0.41) ALDH1A1ITGA4ITGB7RAB9AL3MBTL1
SCHEMBL8280366 0.67 ITGA4 (0.54) ALDH1A1ITGA4ITGB7RAB9AL3MBTL1
SCHEMBL29702360 0.67 LRRK2 (0.50) ALDH1A1ATMHPGDKDM4EHTT
SCHEMBL26100427 0.67 LRRK2 (0.50) ALDH1A1ATMHPGDKDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2225211-B1 HERBICIDAL PYRIDAZINONE DERIVATIVES DU PONT (US) 2013-10-02 — — EP disclosed
US-20100267561-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES E. I. DU PONT DE NEMOURS AND COMPANY 2010-10-21 — — US disclosed
EP-2225211-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES E. I. du Pont de Nemours and Company (US) 2010-09-08 — — EP disclosed
WO-2009086041-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-07-09 — — WO 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-20100267561-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES CYP1A1, CYP1B1, CBR3 ALDH1A1 243/4885ATM 2412/4885HPGD 251/4885

“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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