SCHEMBL2195576

SCHEMBL2195576

COC(=O)c1cncc(OCC2CCCCC2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 5/20 0.47
PARP15 Q460N3 4/20 0.47
ATM Q13315 1/20 0.47
GRM5 P41594 1/20 0.45
GCK P35557 1/20 0.43
CCNB2 O95067 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CCNA1 P78396 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42
SLC2A1 P11166 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
SIRT3 Q9NTG7 1/20 0.41
HIF1A Q16665 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL28274110 0.93 ATM (0.50) PARP10PARP15ATMGRM5PARP2
SCHEMBL12420761 0.87 GCK (0.45) ATMGRM5GCKSIRT2SIRT1
SCHEMBL23501656 0.82 ATM (0.44) ATMGRM5SIRT2SIRT1SIRT3
SCHEMBL31364792 0.82 ATM (0.44) ATMGRM5SIRT2SIRT1SIRT3
SCHEMBL10293632 0.80 KAT6A (0.54) PARP10PARP15SLC2A1SIRT2SMN1; SMN2
SCHEMBL18615678 0.80 RIPK2 (0.43) ATMGRM5
SCHEMBL19420093 0.80 GPR119 (0.52) SLC2A1
SCHEMBL6581879 0.79 CHRNB2 (0.67)
SCHEMBL7311285 0.79 PARP10 (0.68) PARP10PARP15CCNB2CDK1CCNB1
SCHEMBL20897525 0.78 NR1H4 (0.54) PARP10PARP15SLC2A1SIRT2SMN1; SMN2

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 PARP10 2889/4885PARP15 2099/4885ATM 4821/4885

“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.