SCHEMBL3923257

SCHEMBL3923257

CCN(CC)CCOc1ccc2c(c1)cc(-c1nn(C(=O)OC(C)(C)C)c3ccc(OCc4ccccc4)cc13)n2C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 7/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ MCHR1 Q99705 1/20 0.43
▸ GHSR Q92847 1/20 0.42
▸ MAOB P27338 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ SRD5A2 P31213 1/20 0.39
▸ NR1H3 Q13133 1/20 0.37
▸ LTB4R Q15722 1/20 0.36
▸ LTB4R2 Q9NPC1 1/20 0.36
▸ HTR1D P28221 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ LTA4H P09960 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 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
SCHEMBL3973776 0.96 NR1H2 (0.42) NR1H2KCNH2MCHR1GHSRMAOB
SCHEMBL3921445 0.95 NR1H2 (0.42) NR1H2KCNH2MCHR1GHSRMAOB
SCHEMBL3921577 0.91 NR1H2 (0.45) NR1H2SRD5A2NR1H3MEN1NPC1
SCHEMBL3920962 0.89 NR1H2 (0.45) NR1H2GHSRSRD5A2NR1H3MEN1
SCHEMBL3920773 0.87 NR1H2 (0.44) NR1H2SRD5A2NR1H3MEN1NPC1
SCHEMBL3931449 0.87 NR1H2 (0.52) NR1H2NR1H3
Tert-Butanol SCHEMBL3930132 0.85 NR1H2 (0.43) NR1H2MAOBSRD5A2NR1H3MEN1
SCHEMBL3921277 0.85 NR1H2 (0.41) NR1H2SRD5A2NR1H3MEN1NPC1
SCHEMBL3920246 0.85 NR1H2 (0.41) NR1H2KDM4EALDH1A1SRD5A2NR1H3
SCHEMBL3918025 0.85 NR1H2 (0.45) NR1H2SRD5A2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732938-B1 ORGANOPHOSPHOROUS INDAZOLE DERIVATIVES AND USE THEREOF AS PROTEIN KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2009-05-06 — — EP disclosed
EP-1732938-B1 ORGANOPHOSPHOROUS INDAZOLE DERIVATIVES AND USE THEREOF AS PROTEIN KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2009-05-06 — — EP disclosed
US-7491710-B2 Organophosphorus derivatives of indazoles and use thereof as medicinal products AVENTIS PHARMA S.A. (FR) 2009-02-17 — — US disclosed
US-7491710-B2 Organophosphorus derivatives of indazoles and use thereof as medicinal products AVENTIS PHARMA S.A. (FR) 2009-02-17 — — US disclosed
US-7491710-B2 Organophosphorus derivatives of indazoles and use thereof as medicinal products AVENTIS PHARMA S.A. (FR) 2009-02-17 — — US disclosed
EP-1732938-A1 ORGANOPHOSPHOROUS INDAZOLE DERIVATIVES AND USE THEREOF AS PROTEIN KINASE INHIBITORS Aventis Pharma S.A. (FR) 2006-12-20 — — EP disclosed
WO-2005058923-A1 ORGANOPHOSPHOROUS INDAZOLE DERIVATIVES AND USE THEREOF AS PROTEIN KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2005-06-30 — — WO disclosed
US-20050137171-A1 Novel organophosphorus derivatives of indazoles and use thereof as medicinal products AVENTIS PHARMA S.A. (FR) 2005-06-23 — — 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-20050137171-A1 Novel organophosphorus derivatives of indazoles and use thereof as medicinal products PPIP5K2, INPPL1, IP6K3 NR1H2 2030/4885KCNH2 3403/4885MCHR1 4662/4885

“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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