SCHEMBL96932

SCHEMBL96932

CCCCn1nnnc1CC

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.43
MEN1 O00255 4/20 0.43
HTT P42858 3/20 0.42
SLC9A1 P19634 1/20 0.41
CYP2C19 P33261 1/20 0.40
LMNA P02545 4/20 0.39
ALDH1A1 P00352 3/20 0.38
GAA P10253 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 2/20 0.37
GRM2 Q14416 1/20 0.37
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL4405197 0.94 SLC9A1 (0.42) KMT2AMEN1HTTSLC9A1CYP2C19
SCHEMBL4406845 0.92 SLC9A1 (0.44) KMT2AMEN1HTTSLC9A1CYP2C19
SCHEMBL4403621 0.87 ALDH1A1 (0.44) KMT2AMEN1SLC9A1CYP2C19LMNA
SCHEMBL4406557 0.86 KMT2A (0.42) KMT2AMEN1HTTSLC9A1CYP2C19
SCHEMBL4409158 0.86 KMT2A (0.45) KMT2AMEN1HTTSLC9A1CYP2C19
SCHEMBL4414852 0.84 KMT2A (0.41) KMT2AMEN1HTTSLC9A1CYP2C19
SCHEMBL17508789 0.84 KMT2A (0.41) KMT2AMEN1HTTSLC9A1CYP2C19
SCHEMBL2094788 0.84 KMT2A (0.41) KMT2AMEN1HTTSLC9A1CYP2C19
SCHEMBL4406692 0.82 KMT2A (0.40) KMT2AMEN1HTTSLC9A1CYP2C19
SCHEMBL4408311 0.82 MEN1 (0.40) KMT2AMEN1HTTSLC9A1CYP2C19

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 19 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
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-1859782-B1 Composition for coloring and/or lightening human hair comprising tetrazoles HENKEL AG & CO KGAA (DE) 2009-12-30 EP disclosed
EP-1859782-A1 Composition for coloring and/or lightening human hair comprising tetrazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US 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 KMT2A 1059/4885MEN1 4401/4885HTT 4495/4885
US-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 KMT2A 984/4885MEN1 1020/4885HTT 3655/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 KMT2A 2732/4885MEN1 3912/4885HTT 4175/4885
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 KMT2A 688/4885MEN1 4247/4885HTT 4236/4885
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 KMT2A 828/4885MEN1 4533/4885HTT 4518/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 KMT2A 1623/4885MEN1 1851/4885HTT 4769/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 KMT2A 2732/4885MEN1 3912/4885HTT 4175/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 KMT2A 2349/4885MEN1 3512/4885HTT 3668/4885

“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.