SCHEMBL3142846

SCHEMBL3142846

COc1ccc(CN2CCCN(c3ccc(Oc4ccc(Br)cn4)c(C)c3)C2=O)cc1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 3/20 0.38
NTRK1 P04629 2/20 0.38
CSF1R P07333 2/20 0.38
NTRK2 Q16620 2/20 0.38
ALDH1A1 P00352 1/20 0.36
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR2A P28223 3/20 0.36
HTR2C P28335 3/20 0.36
HTR2B P41595 3/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
KCNH2 Q12809 1/20 0.36
MAPT P10636 2/20 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
SCHEMBL3143373 0.87 LMNA (0.37) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL8914441 0.87 LMNA (0.36) SMN1; SMN2LMNANTRK1CSF1RNTRK2
SCHEMBL3138729 0.83 MCHR1 (0.39) SMN1; SMN2LMNANTRK1CSF1RNTRK2
SCHEMBL8914383 0.81 ALDH1A1 (0.39) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL8919642 0.80 HDAC1 (0.43) SMN1; SMN2LMNAALDH1A1HTR2AHTR2C
SCHEMBL14496721 0.79 POLB (0.41) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL8913757 0.79 LMNA (0.45) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL8913036 0.78 MEN1 (0.51) SMN1; SMN2LMNACSF1RALDH1A1MEN1
Bromide SCHEMBL3147496 0.72 LMNA (0.39) SMN1; SMN2LMNAALDH1A1TAS2R8MCHR1
SCHEMBL3138424 0.72 LMNA (0.38) SMN1; SMN2LMNAALDH1A1KCNH2TAS2R8

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
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

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 SMN1; SMN2 4313/4885LMNA 2721/4885NTRK1 1324/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 SMN1; SMN2 3224/4885LMNA 4340/4885NTRK1 2977/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 SMN1; SMN2 3077/4885LMNA 1091/4885NTRK1 1645/4885

“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.