SCHEMBL3143373

SCHEMBL3143373

Cc1cc(N2CCCN(Cc3ccc4c(c3)OCO4)C2=O)ccc1Oc1ccc(Br)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.37
HTT P42858 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
HCRTR2 O43614 2/20 0.36
CMA1 P23946 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 2/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HCRTR1 O43613 1/20 0.36
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PDE5A O76074 1/20 0.35
TAS2R8 Q9NYW2 1/20 0.35

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
SCHEMBL3142846 0.87 SMN1; SMN2 (0.38) LMNAKMT2AMEN1ALDH1A1SMN1; SMN2
Bromide SCHEMBL3147496 0.85 LMNA (0.39) LMNAHTTL3MBTL1HCRTR2ALOX15
SCHEMBL3143381 0.85 CMA1 (0.36) LMNAHTTL3MBTL1KMT2AMEN1
SCHEMBL3138416 0.84 LMNA (0.38) LMNAHTTL3MBTL1HCRTR2ALOX15
SCHEMBL3138424 0.84 LMNA (0.38) LMNAHTTL3MBTL1HCRTR2ALOX15
Bromide SCHEMBL3142384 0.82 HDAC1 (0.38) LMNAALDH1A1SMN1; SMN2
SCHEMBL8920863 0.81 NPC1 (0.43) LMNAKMT2AMEN1TSHRGAA
SCHEMBL8919564 0.81 HDAC1 (0.41) LMNAL3MBTL1GAASMN1; SMN2MAPT
SCHEMBL14496720 0.81 HPGD (0.39) LMNAL3MBTL1KMT2AMEN1TSHR
SCHEMBL8913307 0.80 HCRTR2 (0.43) LMNAHTTL3MBTL1KMT2AHCRTR2

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 LMNA 2721/4885HTT 3655/4885L3MBTL1 502/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 LMNA 4340/4885HTT 4769/4885L3MBTL1 533/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 LMNA 1091/4885HTT 3668/4885L3MBTL1 1465/4885

“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.