SCHEMBL13343531

SCHEMBL13343531

CCOC(=O)c1nc2c(c(C)c(C)n2C)c(=O)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.56
▸ HPGD P15428 6/20 0.56
▸ ALDH1A1 P00352 6/20 0.56
▸ GAA P10253 2/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ POLB P06746 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ TSHR P16473 2/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ HTT P42858 2/20 0.43
▸ RECQL P46063 1/20 0.43
▸ KMT2A Q03164 3/20 0.39
▸ MAPT P10636 4/20 0.38
▸ LMNA P02545 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ PIP4K2A P48426 1/20 0.38
▸ USP2 O75604 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
SCHEMBL4926235 0.78 ALDH1A1 (0.53) KDM4EHPGDALDH1A1GAACYP1A2
SCHEMBL4937298 0.76 ALDH1A1 (0.47) KDM4EHPGDALDH1A1GAACYP1A2
SCHEMBL689137 0.72 HPGD (1.00) KDM4EHPGDALDH1A1GAACYP1A2
SCHEMBL8280814 0.72 PTGS2 (0.47) KDM4EHPGDALDH1A1GAACYP1A2
SCHEMBL4697070 0.72 PTGS2 (0.56) KDM4EHPGDALDH1A1GAACYP1A2
SCHEMBL4927869 0.71 KDM4E (0.78) KDM4EHPGDALDH1A1GAACYP1A2
SCHEMBL4934066 0.71 KDM4E (0.58) KDM4EHPGDALDH1A1GAACYP1A2
SCHEMBL8188235 0.70 HPGD (0.76) KDM4EHPGDALDH1A1GAACYP1A2
SCHEMBL11477411 0.70 HPGD (0.76) KDM4EHPGDALDH1A1GAACYP1A2
SCHEMBL13343578 0.70 HPGD (0.76) KDM4EHPGDALDH1A1GAACYP1A2

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-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

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 KDM4E 1572/4885HPGD 587/4885ALDH1A1 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.

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