SCHEMBL12420757

SCHEMBL12420757

O=C(O)c1ccc(OCCC2CCCCC2)nc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
GCK P35557 1/20 0.50
CXCR1 P25024 1/20 0.47
CXCR2 P25025 1/20 0.47
HCAR3 P49019 3/20 0.47
IDO1 P14902 1/20 0.43
ALOX5 P09917 2/20 0.42
PTGES O14684 1/20 0.42
PTGS2 P35354 1/20 0.42
PPARG P37231 1/20 0.42
PSEN1 P49768 1/20 0.42
NFE2L2 Q16236 1/20 0.42
XDH P47989 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
SCHEMBL4681119 0.86 MAPT (0.56) MAPTL3MBTL1GCKHCAR3XDH
SCHEMBL7316232 0.80 NFE2L2 (0.62) L3MBTL1GCKNFE2L2
SCHEMBL12420774 0.80 HRH3 (0.53) CXCR1CXCR2
SCHEMBL2195324 0.80 KDM4C (0.54) MAPTL3MBTL1GCKALOX5PTGES
SCHEMBL7405208 0.79 GPR119 (0.52) MAPT
SCHEMBL25233954 0.78 KDM2B (0.42) GCKALOX5PTGESPTGS2PPARG
SCHEMBL795937 0.78 MAPT (0.61) MAPTL3MBTL1HCAR3XDH
SCHEMBL2195636 0.77 HPGD (0.47) L3MBTL1IDO1NFE2L2
SCHEMBL796604 0.77 MAPT (0.51) MAPTL3MBTL1CXCR1CXCR2HCAR3
SCHEMBL4767310 0.77 MAPT (0.51) MAPTL3MBTL1CXCR1CXCR2HCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110172230-A1 UREA COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-07-14 US disclosed
US-20110172230-A1 UREA COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-07-14 US disclosed
EP-2065369-A1 UREA COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2009-06-03 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 (1 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-20110172230-A1 UREA COMPOUND OR SALT THEREOF FAAH, FAAH2, UTS2R MAPT 2291/4885L3MBTL1 4818/4885GCK 3637/4885

“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.