SCHEMBL8198652

SCHEMBL8198652

O=C1COc2ccc(CNC(=O)C3NC(=O)c4ccccc4N3)cc2N1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 4/20 0.57
▸ TSHR P16473 1/20 0.53
▸ MAOA P21397 1/20 0.52
▸ MMP8 P22894 5/20 0.47
▸ MMP13 P45452 5/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.45
▸ DRD2 P14416 1/20 0.44
▸ DRD4 P21917 1/20 0.44
▸ DRD3 P35462 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL14073142 0.81 TSHR (0.57) PARP1TSHRMAOAMMP8MMP13
SCHEMBL14072945 0.79 SMN1; SMN2 (0.69) PARP1TSHRMAOAMMP8MMP13
SCHEMBL14072944 0.78 TSHR (0.53) PARP1TSHRMAOAMMP8MMP13
SCHEMBL8192214 0.78 TSHR (0.53) PARP1TSHRMAOAMMP8MMP13
SCHEMBL14073181 0.78 TSHR (0.53) PARP1TSHRMAOAMMP8MMP13
SCHEMBL14073146 0.77 SMN1; SMN2 (0.61) PARP1TSHRMAOAMMP8MMP13
SCHEMBL14073367 0.77 TSHR (0.53) PARP1TSHRMAOAMMP8MMP13
SCHEMBL14073116 0.76 PARP1 (0.62) PARP1TSHRMAOAMMP8MMP13
SCHEMBL14072985 0.75 TSHR (0.85) PARP1TSHRMAOAMMP8MMP13
SCHEMBL14073051 0.75 PARP1 (0.70) PARP1TSHRMAOAMMP8MMP13

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 PARP1 327/4885TSHR 4343/4885MAOA 137/4885

“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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