SCHEMBL3142658

SCHEMBL3142658

CN(CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc(Oc2ccc(NCc3ccc(Cl)c(Cl)c3)cn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.50
CYP3A4 P08684 2/20 0.50
ABCB11 O95342 1/20 0.50
CYP1A2 P05177 1/20 0.50
ADRA2A P08913 1/20 0.50
CYP2D6 P10635 1/20 0.50
CHRM1 P11229 1/20 0.50
TBXA2R P21731 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
CYP2C19 P33261 1/20 0.50
ADRA1A P35348 1/20 0.50
OPRM1 P35372 1/20 0.50
DRD3 P35462 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KCNH2 Q12809 1/20 0.50
HIF1A Q16665 1/20 0.50
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
MAPT P10636 3/20 0.48

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
SCHEMBL3138960 0.93 LMNA (0.49) LMNACYP3A4ABCB11CYP1A2ADRA2A
SCHEMBL3020822 0.89 MEN1 (0.50) LMNACYP3A4ABCB11CYP1A2ADRA2A
SCHEMBL3142652 0.88 LMNA (0.53) LMNACYP3A4ABCB11CYP1A2ADRA2A
SCHEMBL3142939 0.86 LMNA (0.48) LMNACYP3A4ABCB11CYP1A2ADRA2A
SCHEMBL3138954 0.86 LMNA (0.51) LMNACYP3A4ABCB11CYP1A2ADRA2A
SCHEMBL3138333 0.84 MEN1 (0.56) LMNACYP3A4ABCB11CYP1A2ADRA2A
SCHEMBL3147499 0.83 LMNA (0.46) LMNACYP3A4ABCB11CYP1A2ADRA2A
Maleic Acid SCHEMBL3138876 0.83 MEN1 (0.42) LMNACYP3A4ABCB11CYP1A2ADRA2A
Fumaric Acid SCHEMBL3138890 0.83 MEN1 (0.42) LMNACYP3A4ABCB11CYP1A2ADRA2A
SCHEMBL10180858 0.81 MEN1 (0.48) LMNACYP3A4ABCB11CYP1A2ADRA2A

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 6 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

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 2721/4885CYP3A4 144/4885ABCB11 2179/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 LMNA 4340/4885CYP3A4 910/4885ABCB11 465/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 LMNA 1091/4885CYP3A4 236/4885ABCB11 1994/4885

“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.