SCHEMBL1843773

SCHEMBL1843773

CC(C)c1ccc(NCc2ccc(N3CCCC3)cc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 16/20 0.80
▸ KDM4E B2RXH2 14/20 0.80
▸ GAA P10253 12/20 0.80
▸ L3MBTL1 Q9Y468 11/20 0.80
▸ MAPK1 P28482 11/20 0.80
▸ ALDH1A1 P00352 11/20 0.80
▸ ALOX12 P18054 9/20 0.80
▸ ALOX15 P16050 8/20 0.80
▸ TDP1 Q9NUW8 6/20 0.80
▸ SMN1; SMN2 Q16637 5/20 0.80
▸ HTT P42858 5/20 0.70
▸ LMNA P02545 3/20 0.70
▸ TSHR P16473 3/20 0.70
▸ MEN1 O00255 7/20 0.63
▸ KMT2A Q03164 7/20 0.63
▸ APP P05067 1/20 0.63
▸ SNCA P37840 1/20 0.63
▸ CYP1A2 P05177 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58

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
SCHEMBL2475972 0.83 GAA (0.63) MAPTKDM4EGAAL3MBTL1MAPK1
SCHEMBL854818 0.82 L3MBTL1 (0.64) MAPTKDM4EGAAL3MBTL1MAPK1
SCHEMBL277165 0.80 ALDH1A1 (0.54) MAPTKDM4EGAAL3MBTL1MAPK1
SCHEMBL2464412 0.80 GAA (0.67) MAPTKDM4EGAAL3MBTL1MAPK1
SCHEMBL30854966 0.80 L3MBTL1 (0.62) MAPTKDM4EGAAL3MBTL1MAPK1
SCHEMBL18118180 0.79 ALDH1A1 (0.57) MAPTKDM4EGAAL3MBTL1MAPK1
SCHEMBL847809 0.79 ALDH1A1 (0.57) MAPTKDM4EGAAL3MBTL1MAPK1
SCHEMBL30438522 0.77 KDM4E (0.68) MAPTKDM4EGAAL3MBTL1MAPK1
SCHEMBL14680275 0.77 MAPT (0.78) MAPTKDM4EGAAL3MBTL1MAPK1
SCHEMBL18118174 0.77 HPGD (0.52) MAPTKDM4EGAAL3MBTL1MAPK1

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 728/4885KDM4E 4468/4885GAA 3289/4885
US-20040138223-A1 Novel amide derivatives and medicinal use thereof ugs C5AR1, C5AR2, C1S MAPT 700/4885KDM4E 4672/4885GAA 1702/4885

“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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