SCHEMBL8198644

SCHEMBL8198644

O=C1COc2ccc(CNC(=O)c3nc(=O)[nH]c4ccccc34)cc2N1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.56
▸ MMP8 P22894 6/20 0.55
▸ MMP13 P45452 5/20 0.55
▸ PARP1 P09874 3/20 0.53
▸ MAOA P21397 1/20 0.51
▸ KDM4E B2RXH2 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.47
▸ ADORA3 P0DMS8 3/20 0.46
▸ HSD17B10 Q99714 1/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ HTR1D P28221 1/20 0.43
▸ HTR1B P28222 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL14073152 0.83 TSHR (0.59) TSHRMMP8MMP13PARP1MAOA
SCHEMBL14073324 0.82 TSHR (0.57) TSHRMMP8MMP13PARP1MAOA
SCHEMBL14073225 0.81 TSHR (0.57) TSHRMMP8MMP13PARP1MAOA
SCHEMBL14073439 0.80 TSHR (0.58) TSHRMMP8MMP13PARP1MAOA
SCHEMBL14073299 0.80 TSHR (0.58) TSHRMMP8MMP13PARP1MAOA
SCHEMBL14073229 0.79 TSHR (0.57) TSHRMMP8MMP13PARP1MAOA
SCHEMBL14073312 0.79 TSHR (0.59) TSHRMMP8MMP13PARP1MAOA
SCHEMBL13344138 0.79 MMP13 (0.66) TSHRMMP8MMP13PARP1MAOA
SCHEMBL14073279 0.77 HPGD (0.64) TSHRMMP8MMP13PARP1MAOA
SCHEMBL14072985 0.77 TSHR (0.85) TSHRMMP8MMP13PARP1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008109180-A2 METALLOPROTEASE INHIBITORS CONTAINING A HETEROCYCLIC MOIETY ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-09-12 — — WO disclosed
US-20080221093-A1 Metalloprotease inhibitors containing a heterocyclic moiety ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-09-11 — — US disclosed
US-20080221093-A1 Metalloprotease inhibitors containing a heterocyclic moiety ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-09-11 — — US 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-20080221093-A1 Metalloprotease inhibitors containing a heterocyclic moiety MMP12, MMP13, MMP25 TSHR 4343/4885MMP8 28/4885MMP13 2/4885

“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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