SCHEMBL6324067

SCHEMBL6324067

COc1ccc(-c2noc(CCC(=O)N3CCN(Cc4n[nH]c(=O)c5ccccc45)CC3)n2)cc1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.72
▸ TSHR P16473 6/20 0.72
▸ HTT P42858 4/20 0.72
▸ ALDH1A1 P00352 3/20 0.72
▸ LMNA P02545 6/20 0.62
▸ ATM Q13315 2/20 0.61
▸ HPGD P15428 2/20 0.59
▸ NPSR1 Q6W5P4 2/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ TDP1 Q9NUW8 1/20 0.52
▸ GAA P10253 2/20 0.51
▸ POLB P06746 1/20 0.49
▸ PARP1 P09874 2/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL6328130 0.97 TSHR (0.68) MAPTTSHRHTTALDH1A1LMNA
SCHEMBL6324019 0.91 MAPT (0.59) MAPTTSHRHTTALDH1A1LMNA
SCHEMBL6326044 0.89 MAPT (0.56) MAPTTSHRHTTALDH1A1LMNA
SCHEMBL6334598 0.88 LMNA (0.62) MAPTTSHRHTTALDH1A1LMNA
SCHEMBL6327914 0.88 MAPT (0.56) MAPTTSHRHTTALDH1A1LMNA
SCHEMBL6331273 0.82 MAPT (0.48) MAPTTSHRHTTALDH1A1LMNA
SCHEMBL6328013 0.81 TSHR (0.57) MAPTTSHRHTTALDH1A1LMNA
SCHEMBL6324750 0.80 TSHR (0.57) MAPTTSHRHTTALDH1A1LMNA
SCHEMBL6332641 0.78 PARP1 (0.47) MAPTTSHRHTTALDH1A1LMNA
SCHEMBL6325218 0.78 MAPT (0.53) MAPTTSHRHTTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6939981-B1 ruthenium complexes of phosphine-aminophosphine ligands are useful as catalyst for the asymmetric hydrogenation of beta -ketoesters to beta -hydroxyesters EASTMAN CHEMICAL COMPANY (US) 2005-09-06 — — US disclosed
US-6924284-B2 PARP inhibitors ICOS CORPORATION (US) 2005-08-02 — — US disclosed
US-20040087588-A1 Parp inhibitors ICOS CORPORATION 2004-05-06 — — 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 (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-20040087588-A1 Parp inhibitors PARP1, PARP2, PARP11 MAPT 729/4885TSHR 4656/4885HTT 1266/4885

“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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