SCHEMBL3558037

SCHEMBL3558037

COC(=O)Cc1nc2ccccc2c(=O)[nH]1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.66
ALDH1A1 P00352 2/20 0.66
MAPT P10636 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
HSD17B10 Q99714 1/20 0.66
TNKS2 Q9H2K2 1/20 0.61
PARP1 P09874 6/20 0.59
PARP2 Q9UGN5 1/20 0.59
KMT2A Q03164 2/20 0.56
PARP3 Q9Y6F1 4/20 0.56
RAB9A P51151 1/20 0.56
LMNA P02545 1/20 0.54
PDE10A Q9Y233 1/20 0.54
MEN1 O00255 1/20 0.53
RECQL P46063 1/20 0.53
TNKS O95271 1/20 0.52
POLB P06746 1/20 0.51

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
SCHEMBL4743261 0.86 HSD17B10 (0.69) KDM4EALDH1A1MAPTSMN1; SMN2HSD17B10
SCHEMBL20355600 0.86 PARP1 (0.72) KDM4EALDH1A1MAPTSMN1; SMN2PARP1
SCHEMBL29040013 0.84 PARP1 (0.65) KDM4EMAPTSMN1; SMN2TNKS2PARP1
SCHEMBL29040009 0.82 PARP1 (0.62) KDM4EMAPTSMN1; SMN2TNKS2PARP1
SCHEMBL29040046 0.82 PARP1 (0.62) KDM4EMAPTSMN1; SMN2TNKS2PARP1
SCHEMBL18824358 0.81 PARP1 (0.64) KDM4EALDH1A1MAPTSMN1; SMN2TNKS2
SCHEMBL6345103 0.81 ALDH1A1 (0.97) KDM4EALDH1A1MAPTSMN1; SMN2HSD17B10
SCHEMBL4743132 0.79 TNKS (0.65) ALDH1A1SMN1; SMN2HSD17B10TNKS2PARP2
SCHEMBL9145061 0.79 RAB9A (0.70) KDM4EALDH1A1MAPTSMN1; SMN2TNKS2
SCHEMBL2180069 0.77 RAB9A (0.63) KDM4EALDH1A1MAPTSMN1; SMN2TNKS2

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 20 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-7713966-B2 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-05-11 US disclosed
EP-2134693-A2 METALLOPROTEASE INHIBITORS CONTAINING A HETEROCYCLIC MOIETY Alantos Pharmaceuticals Holding, Inc. (US) 2009-12-23 EP disclosed
EP-2094671-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS Alantos Pharmaceuticals Holding, Inc. (US) 2009-09-02 EP 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
US-20080261968-A1 Heterobicyclic metalloprotease inhibitors GEGE CHRISTIAN 2008-10-23 US disclosed
WO-2008109178-A1 METALLOPROTEASE INHIBITORS CONTAINING A SQUARAMIDE MOIETY ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-09-12 WO disclosed
WO-2008109178-A1 METALLOPROTEASE INHIBITORS CONTAINING A SQUARAMIDE MOIETY ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-09-12 WO disclosed
WO-2008109181-A2 METALLOPROTEASE INHIBITORS CONTAINING A HETEROCYCLIC MOIETY ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-09-12 WO 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
US-20080221095-A1 Metalloprotease inhibitors containing a heterocyclic moiety ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-09-11 US disclosed
US-20080221128-A1 Metalloprotease inhibitors containing a squaramide moiety ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-09-11 US disclosed
US-20080221128-A1 Metalloprotease inhibitors containing a squaramide moiety ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-09-11 US disclosed
US-20080221128-A1 Metalloprotease inhibitors containing a squaramide 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
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 (3 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-20080221128-A1 Metalloprotease inhibitors containing a squaramide moiety MMP11, MMP13, MMP14 KDM4E 685/4885ALDH1A1 2056/4885MAPT 4194/4885
US-20080221095-A1 Metalloprotease inhibitors containing a heterocyclic moiety MMP13, MMP11, MMP3 KDM4E 572/4885ALDH1A1 1569/4885MAPT 4420/4885
US-20080261968-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 KDM4E 1572/4885ALDH1A1 1871/4885MAPT 4248/4885

“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.