SCHEMBL8198982

SCHEMBL8198982

CC(C)(C)c1ccc2nc(C(=O)O)[nH]c(=O)c2c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 7/20 0.50
▸ TNKS2 Q9H2K2 7/20 0.50
▸ PARP1 P09874 6/20 0.50
▸ PIN1 Q13526 2/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ LRRK2 Q5S007 1/20 0.42
▸ KIF11 P52732 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ SCN10A Q9Y5Y9 4/20 0.40
▸ MGLL Q99685 1/20 0.40
▸ KCNH2 Q12809 1/20 0.39
▸ DHODH Q02127 1/20 0.39

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
SCHEMBL13343612 0.85 KDM4E (0.46) TNKSTNKS2PARP1PIN1MEN1
SCHEMBL13343429 0.83 ALDH1A1 (0.54) TNKSTNKS2PARP1NPSR1ALDH1A1
SCHEMBL19104138 0.82 TNKS (0.52) TNKSTNKS2PARP1NPSR1MEN1
SCHEMBL16232298 0.80 KDM4E (0.59) TNKSTNKS2PARP1NPSR1ALDH1A1
SCHEMBL8197038 0.80 PIN1 (0.67) PARP1PIN1NPSR1MEN1ALDH1A1
SCHEMBL31024252 0.79 PIN1 (0.53) PIN1KIF11SCN10AKCNH2
SCHEMBL13343647 0.78 PARP1 (0.50) TNKSTNKS2PARP1PIN1NPSR1
SCHEMBL13343598 0.77 KDM4E (0.57) TNKSTNKS2PARP1PIN1MEN1
SCHEMBL13343587 0.77 RXFP1 (0.56) PIN1NPSR1MEN1ALDH1A1HTT
SCHEMBL13343610 0.77 TUBB4A (0.52) PARP1PIN1NPSR1POLBHSD17B10

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 TNKS 977/4885TNKS2 994/4885PARP1 156/4885

“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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