SCHEMBL3138541

SCHEMBL3138541

O=C(Nc1ccc(Oc2ccc(CCC(=O)N3CCN(C(=O)CCl)CC3)cc2)cc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
GRIN1 Q05586 1/20 0.48
GRIN2B Q13224 1/20 0.48
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
USP2 O75604 1/20 0.46
HDAC1 Q13547 1/20 0.46
PRMT1 Q99873 1/20 0.46
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
PKM P14618 1/20 0.45
RAB9A P51151 1/20 0.45
BCAT2 O15382 1/20 0.45
FFAR1 O14842 1/20 0.44
CCR2 P41597 3/20 0.44
PTGDR2 Q9Y5Y4 2/20 0.44
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43

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
SCHEMBL3143326 0.89 KDM4E (0.48) KDM4EGRIN1GRIN2BALDH1A1HPGD
Hydrochloric Acid SCHEMBL3143184 0.89 KDM4E (0.47) KDM4EGRIN1GRIN2BALDH1A1HPGD
Hydrochloric Acid SCHEMBL3142253 0.88 KDM4E (0.50) KDM4EGRIN1GRIN2BALDH1A1HPGD
SCHEMBL3135027 0.87 S1PR2 (0.46) KDM4EGRIN1GRIN2BALDH1A1HPGD
SCHEMBL3142656 0.86 HIF1A (0.49) ALDH1A1HPGDKMT2ANPC1RAB9A
SCHEMBL3143231 0.85 MAPT (0.45) KDM4EGRIN1GRIN2BALDH1A1HPGD
Hydrochloric Acid SCHEMBL3147149 0.82 MEN1 (0.59) ALDH1A1HPGDUSP2MEN1MAPT
SCHEMBL3142959 0.82 KDM4E (0.65) KDM4EHDAC1PRMT1MEN1MAPT
SCHEMBL3131697 0.78 KDM4E (0.53) KDM4EGRIN1GRIN2BHDAC1PRMT1
SCHEMBL8925971 0.74 GRIN1 (0.58) KDM4EGRIN1GRIN2BALDH1A1USP2

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 KDM4E 1219/4885GRIN1 957/4885GRIN2B 2860/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 KDM4E 2010/4885GRIN1 1579/4885GRIN2B 3901/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 KDM4E 988/4885GRIN1 3189/4885GRIN2B 3753/4885

“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.