SCHEMBL2950688

SCHEMBL2950688

CC(C)Oc1ccc(OCc2ccccc2)c(C#N)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.40
MAOB P27338 2/20 0.40
MAPT P10636 3/20 0.40
HSD17B10 Q99714 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
GRM2 Q14416 1/20 0.40
SGMS2 Q8NHU3 1/20 0.39
MAPK1 P28482 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL17544552 0.85 HTR1A (0.43) XDHMAOBMAPTHSD17B10L3MBTL1
SCHEMBL2944970 0.81 USP8 (0.41) XDHMAOBMAPTHSD17B10L3MBTL1
SCHEMBL3892947 0.79 MAPT (0.47) XDHMAOBMAPTHSD17B10L3MBTL1
SCHEMBL721575 0.76 MAOB (0.45) XDHMAOBMAPTHSD17B10L3MBTL1
SCHEMBL2950393 0.76 MAPT (0.49) XDHMAOBMAPTHSD17B10L3MBTL1
SCHEMBL2951718 0.76 MAPT (0.49) XDHMAOBMAPTHSD17B10L3MBTL1
SCHEMBL17544536 0.73 SIGMAR1 (0.44) MAPTHSD17B10MEN1KMT2ASMN1; SMN2
SCHEMBL4214379 0.71 LTA4H (0.58) MAOBMAPTL3MBTL1MEN1KMT2A
SCHEMBL1008490 0.71 MAOB (0.45) MAOBMAPTHSD17B10L3MBTL1MEN1
SCHEMBL2952409 0.70 ALDH1A1 (0.46) MAPTHSD17B10L3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7737161-B2 Condensed furan compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-06-15 US disclosed
US-7737161-B2 Condensed furan compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-06-15 US disclosed
US-7737161-B2 Condensed furan compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-06-15 US disclosed
US-20090156803-A1 Condensed furan compounds KAWAGUCHI TAKAYUKI 2009-06-18 US disclosed
US-20090156803-A1 Condensed furan compounds KAWAGUCHI TAKAYUKI 2009-06-18 US disclosed
US-20090156803-A1 Condensed furan compounds KAWAGUCHI TAKAYUKI 2009-06-18 US disclosed
US-7514449-B2 Fused furan compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-04-07 US disclosed
US-7514449-B2 Fused furan compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-04-07 US disclosed
US-7514449-B2 Fused furan compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-04-07 US disclosed
CN-100344632-C Fused furan compound TANABE SEIYAKU CO (JP) 2007-10-24 CN disclosed
US-20060094724-A1 Fused furan compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2006-05-04 US disclosed
CN-1723210-A Fused furan compound TANABE SEIYAKU CO (JP) 2006-01-18 CN disclosed
EP-1582521-A1 FUSED FURAN COMPOUND TANABE SEIYAKU CO., LTD. (JP) 2005-10-05 EP 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 (2 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-20090156803-A1 Condensed furan compounds F2, F12, F11 XDH 20/4885MAOB 685/4885MAPT 4817/4885
US-20060094724-A1 Fused furan compound F2, F12, F11 XDH 19/4885MAOB 658/4885MAPT 4835/4885

“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.