SCHEMBL6716879

SCHEMBL6716879

CC1=C2COC(C(=O)NCc3ccc(F)cc3)=CC2C(=O)N(Cc2ccccc2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.43
TRPA1 O75762 1/20 0.42
SCD O00767 1/20 0.41
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 2/20 0.38
CACNA1G O43497 1/20 0.38
TP53 P04637 1/20 0.38
PRKAA2 P54646 1/20 0.38
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
HTR7 P34969 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL6678893 0.84 GPBAR1 (0.39) ALDH1A1KDM4ELMNAHPGDKMT2A
SCHEMBL6682933 0.84 TRPA1 (0.44) CNR2TRPA1SCDALDH1A1KDM4E
SCHEMBL6681347 0.83 CNR2 (0.44) CNR2TRPA1SCDALDH1A1KDM4E
SCHEMBL7064086 0.82 CNR2 (0.43) CNR2TRPA1SCDALDH1A1KDM4E
SCHEMBL6718159 0.71 GPBAR1 (0.39) ALDH1A1KDM4ELMNAKMT2ACYP1A2
SCHEMBL6261154 0.62 MAPT (0.55) CNR2ALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL8133573 0.61 CASP3 (0.57) ALDH1A1LMNAHPGDKMT2ACYP1A2
SCHEMBL1155517 0.61 ALDH1A1 (0.72) ALDH1A1KDM4ELMNAHPGDKMT2A
SCHEMBL5230740 0.61 HDAC6 (0.72) ALDH1A1LMNAHPGDKMT2ACYP1A2
SCHEMBL20911008 0.60 RAB9A (0.75) ALDH1A1KDM4ELMNAHPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040034009-A1 1,6-Fused uracil derivatives as matrix metalloproteinase inhibitors ROARK WILLIAM HOWARD (US) 2004-02-19 US claimed
US-20040034009-A1 1,6-Fused uracil derivatives as matrix metalloproteinase inhibitors ROARK WILLIAM HOWARD (US) 2004-02-19 US 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-20040034009-A1 1,6-Fused uracil derivatives as matrix metalloproteinase inhibitors MMP9, MMP13, MMP11 CNR2 4623/4885TRPA1 4681/4885SCD 1447/4885

“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.