SCHEMBL96785

SCHEMBL96785

[CH2]CCc1nnnn1CCCCC

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.38
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
HTT P42858 2/20 0.35
CYP2C19 P33261 1/20 0.33
LMNA P02545 2/20 0.33
HCAR3 P49019 1/20 0.32

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
SCHEMBL3015911 0.90 SLC9A1 (0.36) SLC9A1KMT2AMEN1HTTCYP2C19
SCHEMBL27698214 0.90 SLC9A1 (0.39) SLC9A1KMT2AMEN1HTTCYP2C19
SCHEMBL97712 0.89 SLC9A1 (0.38) SLC9A1KMT2AMEN1HTTCYP2C19
SCHEMBL4410772 0.87 SLC9A1 (0.41) SLC9A1KMT2AMEN1HTTCYP2C19
SCHEMBL4405575 0.87 SLC9A1 (0.41) SLC9A1KMT2AMEN1HTTCYP2C19
SCHEMBL4403827 0.87 SLC9A1 (0.41) SLC9A1KMT2AMEN1HTTCYP2C19
SCHEMBL3937117 0.87 SLC9A1 (0.36) SLC9A1KMT2AMEN1HTTCYP2C19
SCHEMBL3033831 0.86 ALDH1A1 (0.36) SLC9A1KMT2AMEN1HTTCYP2C19
SCHEMBL4403652 0.86 SLC9A1 (0.42) SLC9A1KMT2AMEN1HTTCYP2C19
SCHEMBL2095843 0.86 SLC9A1 (0.40) SLC9A1KMT2AMEN1HTTCYP2C19

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 21 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 disclosed
EP-2612858-A1 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-07-10 EP disclosed
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US 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
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP 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
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 US disclosed
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-19 US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
US-20090326008-A1 NF-kappa B Inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
EP-2043644-A1 NF- B INHIBITOR Otsuka Pharmaceutical Co., Ltd. (JP) 2009-04-08 EP disclosed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 WO disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
CN-101068810-A Carbostyril compound OTSUKA PHARMA CO LTD (JP) 2007-11-07 CN disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 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 (8 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-20090326008-A1 NF-kappa B Inhibitor NFKBIA, NFKB2, IKBKB SLC9A1 1815/4885KMT2A 1059/4885MEN1 4401/4885
US-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 SLC9A1 828/4885KMT2A 984/4885MEN1 1020/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 SLC9A1 800/4885KMT2A 2732/4885MEN1 3912/4885
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 SLC9A1 1606/4885KMT2A 688/4885MEN1 4247/4885
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 SLC9A1 1567/4885KMT2A 828/4885MEN1 4533/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 SLC9A1 328/4885KMT2A 1623/4885MEN1 1851/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 SLC9A1 800/4885KMT2A 2732/4885MEN1 3912/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 SLC9A1 1376/4885KMT2A 2349/4885MEN1 3512/4885

“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.