SCHEMBL3032437

SCHEMBL3032437

C[C](C)COc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
MAPT P10636 5/20 0.51
TTR P02766 3/20 0.51
LMNA P02545 2/20 0.51
KDM4E B2RXH2 1/20 0.51
PKM P14618 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 5/20 0.49
HSPB1 P04792 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPK1 P28482 2/20 0.49
GPR35 Q9HC97 2/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
PTGDR2 Q9Y5Y4 1/20 0.48
HTT P42858 2/20 0.46
CYP1A2 P05177 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL10788762 0.84 MEN1 (0.66) MEN1KMT2AMAPTTTRLMNA
SCHEMBL10504393 0.84 PTGS2 (0.54) MEN1KMT2AMAPTTTRLMNA
SCHEMBL9770348 0.83 KMT2A (0.53) MEN1KMT2AMAPTTTRLMNA
SCHEMBL17307573 0.82 MEN1 (0.55) MEN1KMT2AMAPTTTRLMNA
SCHEMBL1984504 0.82 ALDH1A1 (0.56) MEN1KMT2AMAPTTTRLMNA
SCHEMBL7907585 0.82 NPC1 (0.59) MEN1KMT2AMAPTTTRLMNA
SCHEMBL6255209 0.81 ALDH1A1 (0.53) MEN1KMT2AMAPTTTRLMNA
SCHEMBL11221739 0.80 MAPT (0.56) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL29695817 0.79 TSHR (0.59) MEN1KMT2AMAPTTTRLMNA
SCHEMBL8973132 0.79 CYP19A1 (0.57) MEN1KMT2AMAPTTTRLMNA

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-1993339-B Aromatic compound OTSUKA PHARMA CO LTD 2013-05-22 CN disclosed
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. 2012-12-20 US 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-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-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
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 984/4885MAPT 4315/4885
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 MEN1 4247/4885KMT2A 688/4885MAPT 4294/4885
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 MEN1 4533/4885KMT2A 828/4885MAPT 4610/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 MEN1 1851/4885KMT2A 1623/4885MAPT 4866/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 MEN1 3512/4885KMT2A 2349/4885MAPT 4163/4885

“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.