SCHEMBL13879529

SCHEMBL13879529

O=C1NC(CC2CCCCC2)C(=O)N1c1cc(Cl)cc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAS2R8 Q9NYW2 2/20 0.47
MMP1 P03956 5/20 0.37
MMP9 P14780 4/20 0.37
MMP7 P09237 2/20 0.37
MMP3 P08254 2/20 0.37
TSHR P16473 1/20 0.33
GRN P28799 1/20 0.33
SORT1 Q99523 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ROCK2 O75116 1/20 0.32
CCR5 P51681 1/20 0.32

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
SCHEMBL13879572 0.87 TAS2R8 (0.46) TAS2R8MMP1MMP9TSHRALDH1A1
SCHEMBL13879511 0.87 ALDH1A1 (0.45) TAS2R8TSHRALDH1A1
SCHEMBL13879535 0.77 NOX4 (0.40) TAS2R8TSHRALDH1A1HSD17B10CCR5
SCHEMBL13879557 0.76 MMP1 (0.51) TAS2R8MMP1MMP9MMP3ALDH1A1
SCHEMBL13879580 0.76 KMT2A (0.46) TAS2R8MMP1MMP9MMP3HSD17B10
SCHEMBL11724977 0.73 MEN1 (0.41) TAS2R8TSHRALDH1A1HSD17B10
SCHEMBL13879356 0.71 TAS2R8 (0.40) TAS2R8MMP1MMP9MMP7MMP3
SCHEMBL12408226 0.70 MMP1 (0.43) TAS2R8MMP1MMP9MMP7MMP3
SCHEMBL11612934 0.70 KMT2A (0.58) TSHRALDH1A1
SCHEMBL13879412 0.68 TAS2R8 (0.42) TAS2R8MMP1MMP9MMP7MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099186-A1 INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. 2009-04-16 US disclosed
US-20090099186-A1 INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. 2009-04-16 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-20090099186-A1 INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, RTF2 TAS2R8 4662/4885MMP1 349/4885MMP9 1439/4885

“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.