SCHEMBL14073142

SCHEMBL14073142

O=C1COc2ccc(CNC(=O)[C@@H]3CC(=O)N3)cc2N1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.57
▸ PARP1 P09874 4/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ MAOA P21397 1/20 0.52
▸ KMT2A Q03164 2/20 0.51
▸ MMP8 P22894 4/20 0.49
▸ MMP13 P45452 4/20 0.49
▸ GAA P10253 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ MMP12 P39900 1/20 0.45
▸ NR3C2 P08235 1/20 0.45

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
SCHEMBL8192214 0.93 TSHR (0.53) TSHRPARP1SMN1; SMN2MAOAKMT2A
SCHEMBL14072944 0.93 TSHR (0.53) TSHRPARP1SMN1; SMN2MAOAKMT2A
SCHEMBL14072945 0.88 SMN1; SMN2 (0.69) TSHRPARP1SMN1; SMN2MAOAKMT2A
SCHEMBL14073181 0.87 TSHR (0.53) TSHRPARP1SMN1; SMN2MAOAKMT2A
SCHEMBL14073367 0.86 TSHR (0.53) TSHRPARP1SMN1; SMN2MAOAKMT2A
SCHEMBL14073146 0.86 SMN1; SMN2 (0.61) TSHRPARP1SMN1; SMN2MAOAKMT2A
SCHEMBL8198652 0.81 PARP1 (0.57) TSHRPARP1SMN1; SMN2MAOAKMT2A
SCHEMBL14073116 0.81 PARP1 (0.62) TSHRPARP1MAOAKMT2AMMP8
SCHEMBL14073486 0.80 ALDH1A1 (0.60) KMT2AALDH1A1MAPT
SCHEMBL14072985 0.80 TSHR (0.85) TSHRPARP1MAOAMMP8MMP13

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-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 4343/4885PARP1 327/4885SMN1; SMN2 3755/4885

“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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