SCHEMBL3032609

SCHEMBL3032609

COc1cc(NC(C)CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)ccc1Oc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 6/20 0.46
LMNA P02545 4/20 0.46
KDM4E B2RXH2 4/20 0.45
HTT P42858 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
SMN1; SMN2 Q16637 6/20 0.45
POLB P06746 1/20 0.45
ABCB1 P08183 2/20 0.44
CYP3A4 P08684 2/20 0.44
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
HSD17B10 Q99714 2/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL3023296 0.93 MEN1 (0.48) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL3027034 0.93 MEN1 (0.48) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL3026416 0.90 ALDH1A1 (0.46) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL3032344 0.89 MEN1 (0.48) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL3032340 0.86 SMN1; SMN2 (0.52) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL3023354 0.85 SMN1; SMN2 (0.51) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL3031695 0.84 ALDH1A1 (0.46) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL3258457 0.82 SMN1; SMN2 (0.47) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL3027594 0.82 MEN1 (0.50) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL3147389 0.81 MEN1 (0.57) MEN1KMT2AALDH1A1LMNAHTT

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 EP claimed
EP-2612858-A1 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-07-10 EP claimed
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. 2012-12-20 US claimed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US claimed
US-8263599-B2 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-09-11 US claimed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US claimed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US claimed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US claimed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US claimed
CN-101522657-B STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO.,LTD. (JP) 2014-10-15 CN disclosed
EP-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 EP disclosed
EP-2612858-A1 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-07-10 EP disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8263599-B2 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-09-11 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-19 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
CN-101522657-A STAT3/5 activation inhibitor OTSUKA PHARMA CO LTD (JP) 2009-09-02 CN disclosed
CN-101321529-A Diaryl aether derivant as antineoplastic agent OTSUKA PHARMA CO LTD (JP) 2008-12-10 CN 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 (5 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 984/4885ALDH1A1 565/4885
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 MEN1 4247/4885KMT2A 688/4885ALDH1A1 2295/4885
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 MEN1 4533/4885KMT2A 828/4885ALDH1A1 1814/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 MEN1 1851/4885KMT2A 1623/4885ALDH1A1 265/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 MEN1 3512/4885KMT2A 2349/4885ALDH1A1 475/4885

“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.