SCHEMBL14073058

SCHEMBL14073058

O=C1COc2ccc(CC(=O)NC34CC5CC(CC(C5)C3)C4)cc2N1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 5/20 0.52
▸ ALDH1A1 P00352 4/20 0.48
▸ MAPT P10636 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ GAA P10253 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ TSHR P16473 2/20 0.45
▸ HPGD P15428 1/20 0.45
▸ MAOA P21397 1/20 0.44
▸ NR3C2 P08235 1/20 0.43
▸ MMP12 P39900 1/20 0.43
▸ KMT2A Q03164 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
SCHEMBL14073071 0.85 PARP1 (0.50) PARP1ALDH1A1MAPTGAAKDM4E
SCHEMBL14072965 0.81 GAA (0.63) ALDH1A1MAPTGAATSHR
SCHEMBL9130576 0.80 PARP1 (0.60) PARP1ALDH1A1MAPTGAAKDM4E
SCHEMBL14073116 0.79 PARP1 (0.62) PARP1ALDH1A1MAPTTSHRHPGD
SCHEMBL14073370 0.79 HPGD (0.64) PARP1ALDH1A1MAPTSMN1; SMN2TSHR
SCHEMBL14073372 0.78 KMT2A (0.54) PARP1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL4295364 0.78 PARP1 (0.65) PARP1ALDH1A1MAPTGAAKDM4E
SCHEMBL14073095 0.78 MAPT (0.60) PARP1ALDH1A1MAPTTSHRKMT2A
SCHEMBL14073059 0.77 GAA (0.59) PARP1ALDH1A1MAPTGAA
SCHEMBL4286655 0.77 PARP1 (0.67) PARP1ALDH1A1MAPTGAAKDM4E

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 PARP1 327/4885ALDH1A1 714/4885MAPT 3986/4885

“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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