SCHEMBL8204538

SCHEMBL8204538

O=C(O)c1nc2cccc(F)c2c(=O)[nH]1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.60
MMP13 P45452 7/20 0.52
TNKS O95271 1/20 0.50
TNKS2 Q9H2K2 1/20 0.50
TYMS P04818 1/20 0.43
PIN1 Q13526 2/20 0.42
MMP10 P09238 2/20 0.40
MMP8 P22894 2/20 0.40
MMP2 P08253 1/20 0.38
MMP3 P08254 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
SCHEMBL8202010 0.81 MMP13 (0.55) PARP1MMP13TNKSTNKS2TYMS
SCHEMBL8194247 0.81 PARP1 (0.64) PARP1MMP13TYMSPIN1
SCHEMBL689302 0.79 PARP1 (0.58) PARP1MMP13TNKSTNKS2
SCHEMBL6988205 0.79 DYRK1A (0.42) PARP1PIN1
SCHEMBL27683279 0.76 PIN1 (0.43) PARP1MMP13TNKSTNKS2TYMS
SCHEMBL27683285 0.76 PIN1 (0.40) PARP1MMP13PIN1
SCHEMBL20339497 0.76 PARP1 (0.64) PARP1TNKSTNKS2
SCHEMBL27683281 0.76 MMP13 (0.45) PARP1MMP13PIN1
SCHEMBL29902989 0.76 PARP1 (0.64) PARP1TNKSTNKS2
SCHEMBL50874 0.76 MMP13 (0.43) MMP13TNKSPIN1

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 7 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
CN-101351453-A Heterocyclic amide compound and use thereof TAKEDA PHARMACEUTICAL (JP) 2009-01-21 CN 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
CN-1976907-A Heterocyclic amide compound and use thereof as an MMP-13 inhibitor TAKEDA PHARMACEUTICAL (JP) 2007-06-06 CN 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 PARP1 156/4885MMP13 1/4885TNKS 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.