SCHEMBL3142247

SCHEMBL3142247

Cc1cc(N(C)CC(=O)N2CCN(Cc3ccccc3)CC2)ccc1Oc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.49
LMNA P02545 3/20 0.49
KDM4E B2RXH2 2/20 0.47
MAPT P10636 4/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
NPBWR1 P48145 1/20 0.44
MCHR1 Q99705 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPK1 P28482 2/20 0.43
POLB P06746 1/20 0.43
BLM P54132 1/20 0.42
MGLL Q99685 3/20 0.42
HTT P42858 1/20 0.41
FAAH O00519 2/20 0.41

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
SCHEMBL3128809 0.88 ALDH1A1 (0.50) ALDH1A1LMNAKDM4EMAPTL3MBTL1
SCHEMBL3143427 0.81 HSPB1 (0.47) ALDH1A1LMNAKDM4EMAPTL3MBTL1
SCHEMBL3021052 0.79 HIF1A (0.51) ALDH1A1LMNAKDM4EMAPTL3MBTL1
SCHEMBL3138268 0.78 ALDH1A1 (0.48) ALDH1A1LMNAKDM4EMAPTL3MBTL1
SCHEMBL21628066 0.74 HSPB1 (0.50) ALDH1A1LMNAKDM4EMAPTL3MBTL1
SCHEMBL12275508 0.72 ALDH1A1 (0.68) ALDH1A1LMNAKDM4EMAPTL3MBTL1
SCHEMBL12275236 0.72 HSPB1 (0.43) ALDH1A1LMNAKDM4EMAPTL3MBTL1
SCHEMBL12275232 0.72 HSPB1 (0.43) ALDH1A1LMNAKDM4EMAPTL3MBTL1
SCHEMBL2453213 0.70 ALDH1A1 (0.47) ALDH1A1LMNAKDM4EMAPTL3MBTL1
SCHEMBL2453212 0.70 ALDH1A1 (0.47) ALDH1A1LMNAKDM4EMAPTL3MBTL1

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-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 EP disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
EP-1773797-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-18 EP disclosed
WO-2006014012-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-09 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 (3 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-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 ALDH1A1 565/4885LMNA 2721/4885KDM4E 1219/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 ALDH1A1 265/4885LMNA 4340/4885KDM4E 2010/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 ALDH1A1 475/4885LMNA 1091/4885KDM4E 988/4885

“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.