SCHEMBL1844630

SCHEMBL1844630

CC(C)c1ccc(NCc2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.70
▸ GAA P10253 3/20 0.70
▸ MEN1 O00255 3/20 0.70
▸ KMT2A Q03164 3/20 0.70
▸ BLM P54132 2/20 0.70
▸ TP53 P04637 2/20 0.70
▸ ATM Q13315 1/20 0.70
▸ F2 P00734 1/20 0.64
▸ CA12 O43570 1/20 0.61
▸ CA1 P00915 1/20 0.61
▸ CA2 P00918 1/20 0.61
▸ CA9 Q16790 1/20 0.61
▸ MRGPRX1 Q96LB2 1/20 0.61
▸ BCHE P06276 3/20 0.58
▸ RXRA P19793 1/20 0.55
▸ RXRB P28702 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ THRB P10828 1/20 0.52
▸ PKM P14618 1/20 0.52

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
SCHEMBL17602106 0.89 MAPT (0.71) MAPTGAAMEN1KMT2ABLM
SCHEMBL17602193 0.88 MAPT (0.65) MAPTGAAMEN1KMT2ABLM
SCHEMBL17602273 0.87 MAPT (0.67) MAPTGAAMEN1KMT2ABLM
SCHEMBL17602075 0.87 MAPT (0.64) MAPTGAAMEN1KMT2ABLM
SCHEMBL11838896 0.87 MAPT (0.84) MAPTGAAMEN1KMT2ABLM
SCHEMBL17602198 0.86 MAPT (0.62) MAPTGAAMEN1KMT2ABLM
SCHEMBL17602269 0.85 RXRA (0.56) MAPTGAAMEN1KMT2ABCHE
SCHEMBL8082984 0.85 MAPT (0.82) MAPTGAAMEN1KMT2ABLM
SCHEMBL683554 0.85 RXRA (0.66) MAPTGAABCHERXRARXRB
SCHEMBL25833890 0.85 HTT (0.63) MAPTGAAMEN1KMT2ACA12

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
EP-1318140-B9 NOVEL AMIDE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2014-05-21 — — EP disclosed
US-8198454-B2 Amide derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-06-12 — — US disclosed
EP-1318140-B1 NOVEL AMIDE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2011-05-18 — — EP disclosed
US-7855297-B2 Amide derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-12-21 — — US disclosed
US-20100041656-A1 Novel amide derivatives and medicinal use thereof NAKAMURA MITSUBARU 2010-02-18 — — US disclosed
US-20040138223-A1 Novel amide derivatives and medicinal use thereof ugs MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-07-15 — — US disclosed
EP-1318140-A1 NOVEL AMIDE DERIVATIVES AND MEDICINAL USE THEREOF UGS Mitsubishi Pharma Corporation (JP) 2003-06-11 — — EP 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 (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-20100041656-A1 Novel amide derivatives and medicinal use thereof C5AR1, C5AR2, C3AR1 MAPT 728/4885GAA 3289/4885MEN1 3412/4885
US-20040138223-A1 Novel amide derivatives and medicinal use thereof ugs C5AR1, C5AR2, C1S MAPT 700/4885GAA 1702/4885MEN1 3426/4885

“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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