SCHEMBL3143326

SCHEMBL3143326

O=C(Nc1ccc(Oc2ccc(CCC(=O)N3CCNCC3)cc2)cc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
UTS2R Q9UKP6 1/20 0.46
HPGD P15428 2/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HDAC1 Q13547 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2B Q13224 1/20 0.45
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
GAA P10253 1/20 0.44
ALOX15 P16050 1/20 0.44
BCAT2 O15382 1/20 0.44
FFAR1 O14842 1/20 0.43
CCR2 P41597 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 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
Hydrochloric Acid SCHEMBL3143184 0.99 KDM4E (0.47) KDM4EUTS2RHPGDUSP2ALDH1A1
SCHEMBL3138541 0.89 KDM4E (0.49) KDM4EHPGDUSP2ALDH1A1HDAC1
Hydrochloric Acid SCHEMBL3142253 0.85 KDM4E (0.50) KDM4EHPGDUSP2ALDH1A1HDAC1
SCHEMBL3135027 0.84 S1PR2 (0.46) KDM4EHPGDUSP2ALDH1A1HDAC1
SCHEMBL3142656 0.84 HIF1A (0.49) HPGDALDH1A1NPC1RAB9AKMT2A
SCHEMBL3143231 0.82 MAPT (0.45) KDM4EHPGDUSP2ALDH1A1GRIN1
SCHEMBL3142959 0.81 KDM4E (0.65) KDM4EHDAC1MEN1NPC1MAPT
Hydrochloric Acid SCHEMBL3147149 0.80 MEN1 (0.59) HPGDUSP2ALDH1A1MEN1NPC1
SCHEMBL3131697 0.77 KDM4E (0.53) KDM4EHDAC1GRIN1GRIN2BMEN1
SCHEMBL3129054 0.75 PRKAA2 (0.51) KDM4EUTS2RMAPT

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 8 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

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 1219/4885UTS2R 2893/4885HPGD 2527/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 KDM4E 2010/4885UTS2R 2889/4885HPGD 733/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 KDM4E 988/4885UTS2R 2121/4885HPGD 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.