SCHEMBL3133163

SCHEMBL3133163

O=C(Nc1ccc(Nc2ccc(CCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2)nc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
HPGD P15428 1/20 0.50
LMNA P02545 8/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MAPK1 P28482 3/20 0.49
ALDH1A1 P00352 4/20 0.48
HTT P42858 4/20 0.48
POLB P06746 1/20 0.48
NPC1 O15118 2/20 0.47
USP2 O75604 1/20 0.47
TP53 P04637 1/20 0.47
FAAH O00519 4/20 0.47
MAOB P27338 1/20 0.47
RAB9A P51151 1/20 0.47
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP3A4 P08684 2/20 0.46
ABCB11 O95342 1/20 0.46
CYP1A2 P05177 1/20 0.46

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
SCHEMBL3142686 0.93 MEN1 (0.54) MEN1KMT2AHPGDLMNASMN1; SMN2
SCHEMBL3128870 0.90 MEN1 (0.56) MEN1KMT2AHPGDLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL3142616 0.89 MEN1 (0.55) MEN1KMT2AHPGDLMNASMN1; SMN2
SCHEMBL3142694 0.87 MEN1 (0.52) MEN1KMT2AHPGDLMNASMN1; SMN2
SCHEMBL3147392 0.85 MEN1 (0.51) MEN1KMT2AHPGDLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL3147149 0.85 MEN1 (0.59) MEN1KMT2AHPGDLMNASMN1; SMN2
Oxalic Acid SCHEMBL3138538 0.83 MEN1 (0.48) MEN1KMT2AHPGDLMNASMN1; SMN2
SCHEMBL3139100 0.82 MEN1 (0.51) MEN1KMT2AHPGDLMNASMN1; SMN2
SCHEMBL3031500 0.81 LMNA (0.50) MEN1KMT2AHPGDLMNASMN1; SMN2
SCHEMBL3020824 0.81 MEN1 (0.52) MEN1KMT2AHPGDLMNASMN1; SMN2

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 10 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
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 MEN1 1020/4885KMT2A 984/4885HPGD 2527/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 MEN1 1851/4885KMT2A 1623/4885HPGD 733/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 MEN1 3512/4885KMT2A 2349/4885HPGD 1282/4885

“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.