SCHEMBL8194816

SCHEMBL8194816

O=C(Cc1nc2ccccc2c(=O)[nH]1)NCc1ccc2c(c1)NC(=O)CO2

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.54
▸ MMP8 P22894 4/20 0.51
▸ MMP13 P45452 4/20 0.51
▸ MAPT P10636 3/20 0.48
▸ MAPK1 P28482 4/20 0.48
▸ POLB P06746 1/20 0.48
▸ MAOA P21397 1/20 0.48
▸ TSHR P16473 2/20 0.48
▸ USP2 O75604 1/20 0.46
▸ GAA P10253 1/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ TP53 P04637 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL13344138 0.85 MMP13 (0.66) PARP1MMP8MMP13MAOATSHR
SCHEMBL14072490 0.82 PARP1 (0.50) PARP1MMP8MMP13MAPTMAPK1
SCHEMBL14073051 0.81 PARP1 (0.70) PARP1MMP8MMP13MAPTMAOA
SCHEMBL14073116 0.81 PARP1 (0.62) PARP1MMP8MMP13MAPTMAOA
SCHEMBL4933671 0.79 MMP13 (0.58) PARP1MMP8MMP13
SCHEMBL14073440 0.78 TSHR (0.52) PARP1MMP8MMP13MAPTMAOA
SCHEMBL14073349 0.78 PARP1 (0.56) PARP1MMP8MMP13MAPTPOLB
SCHEMBL8195905 0.78 MMP13 (0.62) PARP1MMP8MMP13MAOATSHR
SCHEMBL14073152 0.77 TSHR (0.59) PARP1MMP8MMP13MAPTMAOA
SCHEMBL14073436 0.77 NPC1 (0.57) PARP1MMP8MMP13MAPTMAOA

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-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-2008109181-A2 METALLOPROTEASE INHIBITORS CONTAINING A HETEROCYCLIC MOIETY ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-09-12 — — WO disclosed
US-20080221095-A1 Metalloprotease inhibitors containing a heterocyclic moiety ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-09-11 — — US disclosed
US-20080221095-A1 Metalloprotease inhibitors containing a heterocyclic moiety ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-09-11 — — 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-20080221095-A1 Metalloprotease inhibitors containing a heterocyclic moiety MMP13, MMP11, MMP3 PARP1 699/4885MMP8 13/4885MMP13 1/4885
US-20080261968-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 PARP1 156/4885MMP8 5/4885MMP13 1/4885

“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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