SCHEMBL14072945

SCHEMBL14072945

O=C1COc2ccc(CNC(=O)C3CCC(=O)N3)cc2N1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.69
▸ TSHR P16473 1/20 0.54
▸ PARP1 P09874 5/20 0.54
▸ KMT2A Q03164 2/20 0.51
▸ MAOA P21397 1/20 0.49
▸ MMP8 P22894 5/20 0.49
▸ MMP13 P45452 4/20 0.49
▸ GAA P10253 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ SMYD3 Q9H7B4 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
SCHEMBL14073146 0.94 SMN1; SMN2 (0.61) SMN1; SMN2TSHRPARP1KMT2AMAOA
SCHEMBL14073142 0.88 TSHR (0.57) SMN1; SMN2TSHRPARP1KMT2AMAOA
SCHEMBL8192214 0.84 TSHR (0.53) SMN1; SMN2TSHRPARP1KMT2AMAOA
SCHEMBL14072944 0.84 TSHR (0.53) SMN1; SMN2TSHRPARP1KMT2AMAOA
SCHEMBL14073181 0.84 TSHR (0.53) SMN1; SMN2TSHRPARP1KMT2AMAOA
SCHEMBL14073367 0.83 TSHR (0.53) SMN1; SMN2TSHRPARP1KMT2AMAOA
SCHEMBL14073514 0.81 TRPV1 (0.59) KMT2AALDH1A1MAPT
SCHEMBL8198652 0.79 PARP1 (0.57) SMN1; SMN2TSHRPARP1KMT2AMAOA
SCHEMBL14073116 0.78 PARP1 (0.62) TSHRPARP1KMT2AMAOAMMP8
SCHEMBL14072985 0.77 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 SMN1; SMN2 3755/4885TSHR 4343/4885PARP1 327/4885

“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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