SCHEMBL8196859

SCHEMBL8196859

CCOC(=O)c1nc2c(cnn2-c2ccccc2)c(=O)[nH]1

nearest known ligand 0.84

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.84
SMN1; SMN2 Q16637 1/20 0.64
ALDH1A1 P00352 5/20 0.59
TSHR P16473 1/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ATM Q13315 1/20 0.56
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
PDE5A O76074 4/20 0.55
CSNK2A2 P19784 1/20 0.55
CSNK2B P67870 1/20 0.55
CSNK2A1 P68400 1/20 0.55
HTT P42858 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
TP53 P04637 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL8199586 0.88 PTGS2 (0.69) PTGS2SMN1; SMN2ALDH1A1TSHRMEN1
SCHEMBL13343675 0.83 PTGS2 (0.67) PTGS2SMN1; SMN2ALDH1A1TSHRMEN1
SCHEMBL4697070 0.81 PTGS2 (0.56) PTGS2SMN1; SMN2ALDH1A1TSHRMEN1
SCHEMBL22042834 0.80 MEN1 (0.83) PTGS2SMN1; SMN2ALDH1A1TSHRMEN1
SCHEMBL22042983 0.80 CYP1A2 (0.85) SMN1; SMN2ALDH1A1TSHRMEN1KMT2A
SCHEMBL8196599 0.79 PTGS2 (0.63) PTGS2SMN1; SMN2ALDH1A1TSHRMEN1
SCHEMBL25343807 0.79 PTGS2 (0.55) PTGS2SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL18791358 0.78 L3MBTL1 (0.64) PTGS2SMN1; SMN2ALDH1A1TSHRMEN1
SCHEMBL22042822 0.77 SMN1; SMN2 (0.78) PTGS2SMN1; SMN2ALDH1A1TSHRMEN1
SCHEMBL19342061 0.77 CYP1A2 (0.73) SMN1; SMN2ALDH1A1TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7713966-B2 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-05-11 US disclosed
US-7713966-B2 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-05-11 US disclosed
US-20080261968-A1 Heterobicyclic metalloprotease inhibitors GEGE CHRISTIAN 2008-10-23 US disclosed
US-20080261968-A1 Heterobicyclic metalloprotease inhibitors GEGE CHRISTIAN 2008-10-23 US disclosed
WO-2008063668-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-05-29 WO 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-20080261968-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 PTGS2 681/4885SMN1; SMN2 4520/4885ALDH1A1 1871/4885

“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.