SCHEMBL8201209

SCHEMBL8201209

CCOC(=O)c1nc2c(C)cccc2c(=O)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 10/20 0.56
PARP2 Q9UGN5 5/20 0.54
TNKS O95271 11/20 0.50
TNKS2 Q9H2K2 11/20 0.50
ALDH1A1 P00352 3/20 0.49
HPGD P15428 3/20 0.49
GAA P10253 2/20 0.49
KDM4E B2RXH2 3/20 0.47
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47
RECQL P46063 1/20 0.47
PARP14 Q460N5 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
PARP11 Q9NR21 1/20 0.46

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
SCHEMBL164147 0.86 TNKS (0.54) PARP1PARP2TNKSTNKS2ALDH1A1
SCHEMBL8198835 0.85 PARP1 (0.55) PARP1PARP2TNKSTNKS2PARP14
SCHEMBL17829663 0.85 PARP1 (0.57) PARP1PARP2TNKSTNKS2KDM4E
SCHEMBL689576 0.81 BRD4 (0.55) PARP1TNKS2ALDH1A1HPGDGAA
SCHEMBL30782682 0.81 BRD4 (0.55) PARP1TNKS2ALDH1A1HPGDGAA
SCHEMBL4932342 0.78 HCAR2 (0.50) ALDH1A1HPGDGAAKDM4ECYP1A2
SCHEMBL689847 0.78 PARP1 (0.56) PARP1ALDH1A1HPGDGAAKDM4E
SCHEMBL8199577 0.75 ALDH1A1 (0.57) ALDH1A1HPGDGAAKDM4ECYP1A2
SCHEMBL20606488 0.74 CYP1A2 (0.54) ALDH1A1GAAKDM4ECYP1A2CYP2C9
SCHEMBL17298080 0.74 PARP1 (0.66) PARP1PARP2TNKSTNKS2PARP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS (US) 2016-06-16 US disclosed
US-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS (US) 2016-06-16 US disclosed
WO-2016094730-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS, INC. (US) 2016-06-16 WO disclosed
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 (2 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-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS FOS, FOSB, YAP1 PARP1 2477/4885PARP2 3602/4885TNKS 1771/4885
US-20080261968-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 PARP1 156/4885PARP2 188/4885TNKS 977/4885

“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.