SCHEMBL3143381

SCHEMBL3143381

Cc1cc(N2CC=CN(Cc3ccc4c(c3)OCO4)C2=O)ccc1Oc1ccc(Br)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HTT P42858 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 2/20 0.35
PDE5A O76074 1/20 0.35
TAS2R8 Q9NYW2 1/20 0.35
KMT2A Q03164 6/20 0.35
MEN1 O00255 5/20 0.35
HCRTR2 O43614 1/20 0.34
MAPT P10636 3/20 0.34
TSHR P16473 2/20 0.34
KDM4E B2RXH2 2/20 0.34
CASP1 P29466 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HIF1A Q16665 2/20 0.34
ALOX15 P16050 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
NPC1 O15118 1/20 0.33

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
Bromide SCHEMBL3147500 0.85 MCHR1 (0.38) CMA1ALDH1A1HTTL3MBTL1LMNA
SCHEMBL3143373 0.85 LMNA (0.37) CMA1ALDH1A1HTTL3MBTL1LMNA
SCHEMBL3138421 0.85 MCHR1 (0.38) CMA1ALDH1A1HTTL3MBTL1LMNA
Bromide SCHEMBL3142390 0.82 MCHR1 (0.37) ALDH1A1LMNAGAA
SCHEMBL3138736 0.71 MCHR1 (0.39) LMNATAS2R8
Bromide SCHEMBL3147496 0.71 LMNA (0.39) ALDH1A1HTTL3MBTL1LMNATAS2R8
SCHEMBL3138416 0.70 LMNA (0.38) ALDH1A1HTTL3MBTL1LMNATAS2R8
SCHEMBL3138424 0.70 LMNA (0.38) ALDH1A1HTTL3MBTL1LMNATAS2R8
SCHEMBL3128722 0.69 KDM4E (0.49) ALDH1A1HTTLMNAKMT2AMEN1
SCHEMBL3134678 0.68 HDAC1 (0.46) L3MBTL1LMNAMAPTGAANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1957073-A2 MEDICINAL DRUG OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-08-20 EP disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 WO 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 CMA1 1423/4885ALDH1A1 565/4885HTT 3655/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 CMA1 1140/4885ALDH1A1 265/4885HTT 4769/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 CMA1 580/4885ALDH1A1 475/4885HTT 3668/4885

“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.