SCHEMBL2193036

SCHEMBL2193036

O=Cc1ccnc(OCCC2CCCCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HPGD P15428 17/20 0.43
NFE2L2 Q16236 1/20 0.42
ALOX5 P09917 2/20 0.38
PTGES O14684 1/20 0.38
PTGS2 P35354 1/20 0.38
PPARG P37231 1/20 0.38
PSEN1 P49768 1/20 0.38

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
SCHEMBL2195636 0.80 HPGD (0.47) HPGDNFE2L2
SCHEMBL3426935 0.79 ITGB3 (0.43) HPGD
SCHEMBL16453456 0.78 NPC1 (0.50) HPGDNFE2L2ALOX5PTGESPTGS2
SCHEMBL29416948 0.78 ACACB (0.38)
SCHEMBL20489946 0.78 ACACB (0.38)
SCHEMBL1627975 0.77 HRH4 (0.43)
SCHEMBL2195324 0.77 KDM4C (0.54) NFE2L2ALOX5PTGESPTGS2PPARG
SCHEMBL12949327 0.77 LOX (0.56) HPGD
SCHEMBL16453522 0.77 MEN1 (0.48) HPGDNFE2L2ALOX5PTGESPTGS2
SCHEMBL16450598 0.76 NFE2L2 (0.43) HPGDNFE2L2ALOX5PTGESPTGS2

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 4 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
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 HPGD 195/4885NFE2L2 1770/4885ALOX5 38/4885

“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.