SCHEMBL2944982

SCHEMBL2944982

COC(=O)C1CCC(NC(=O)COCCOCc2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 4/20 0.49
GAA P10253 1/20 0.49
TSHR P16473 1/20 0.47
HPGD P15428 3/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ATM Q13315 1/20 0.43
EPHX2 P34913 1/20 0.43
KDM1A O60341 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
POLB P06746 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 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
SCHEMBL2944979 1.00 L3MBTL1 (0.50) L3MBTL1ALDH1A1GAATSHRHPGD
SCHEMBL17740993 0.84 EPHX2 (0.62) L3MBTL1ALDH1A1HPGDATMEPHX2
SCHEMBL15403910 0.79 ALDH1A1 (0.52) L3MBTL1ALDH1A1GAATSHRATM
SCHEMBL15403907 0.79 ALDH1A1 (0.52) L3MBTL1ALDH1A1GAATSHRATM
SCHEMBL7286285 0.79 ALDH1A1 (0.78) ALDH1A1GAATSHRKDM1AMAOB
SCHEMBL9885094 0.79 ALDH1A1 (0.78) ALDH1A1GAATSHRKDM1AMAOB
SCHEMBL15944807 0.79 ALDH1A1 (0.78) ALDH1A1GAATSHRKDM1AMAOB
SCHEMBL1913003 0.78 ALDH1A1 (0.50) ALDH1A1GAAHPGDMAPTNPSR1
SCHEMBL757461 0.78 ALDH1A1 (0.50) ALDH1A1GAAHPGDMAPTNPSR1
SCHEMBL4875473 0.78 EPHX2 (0.65) L3MBTL1ALDH1A1TSHRHPGDATM

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
EP-1489078-B1 BENZOFURAN DERIVATIVE MITSUBISHI TANABE PHARMA CORP (JP) 2010-01-06 EP disclosed
US-20090209511-A1 Benzofuran Derivatives KAWAGUCHI TAKAYUKI 2009-08-20 US disclosed
US-20090156803-A1 Condensed furan compounds KAWAGUCHI TAKAYUKI 2009-06-18 US disclosed
US-7531537-B2 Benzofuran derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-05-12 US disclosed
US-7514449-B2 Fused furan compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-04-07 US disclosed
US-7375119-B2 Amide type carboxamide derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-05-20 US disclosed
US-20060287329-A1 Amide type carboxamide derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2006-12-21 US disclosed
EP-1666455-A1 AMIDE TYPE CARBOXAMIDE DERIVATIVE TANABE SEIYAKU CO., LTD. (JP) 2006-06-07 EP disclosed
US-20060094724-A1 Fused furan compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2006-05-04 US disclosed
US-20050282808-A1 Benzofuran derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2005-12-22 US disclosed
EP-1582521-A1 FUSED FURAN COMPOUND TANABE SEIYAKU CO., LTD. (JP) 2005-10-05 EP disclosed
EP-1489078-A1 BENZOFURAN DERIVATIVE Tanabe Seiyaku Co., Ltd. (JP) 2004-12-22 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 (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-20050282808-A1 Benzofuran derivative F12, F2, F11 L3MBTL1 4087/4885ALDH1A1 683/4885GAA 3882/4885
US-20060287329-A1 Amide type carboxamide derivative F12, F11, F13A1 L3MBTL1 2218/4885ALDH1A1 884/4885GAA 2610/4885
US-20090156803-A1 Condensed furan compounds F2, F12, F11 L3MBTL1 3708/4885ALDH1A1 1627/4885GAA 4223/4885
US-20090209511-A1 Benzofuran Derivatives F12, F2, F3 L3MBTL1 4101/4885ALDH1A1 693/4885GAA 3844/4885
US-20060094724-A1 Fused furan compound F2, F12, F11 L3MBTL1 3595/4885ALDH1A1 1674/4885GAA 4234/4885

“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.