SCHEMBL14073071

SCHEMBL14073071

O=C(Cc1ccc2c(c1)NC(=O)CO2)NCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 4/20 0.50
▸ ALDH1A1 P00352 4/20 0.49
▸ MAPT P10636 2/20 0.49
▸ TSHR P16473 1/20 0.48
▸ GAA P10253 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ MAOA P21397 1/20 0.44
▸ KMT2A Q03164 2/20 0.43
▸ SMYD3 Q9H7B4 1/20 0.43
▸ PKM P14618 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ POLB P06746 1/20 0.42

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
SCHEMBL14073058 0.85 PARP1 (0.52) PARP1ALDH1A1MAPTTSHRGAA
SCHEMBL14072971 0.84 GAA (0.61) ALDH1A1MAPTTSHRGAAMAOA
SCHEMBL14073372 0.83 KMT2A (0.54) PARP1ALDH1A1MAPTTSHRKDM4E
SCHEMBL14073116 0.82 PARP1 (0.62) PARP1ALDH1A1MAPTTSHRMAOA
SCHEMBL14073370 0.79 HPGD (0.64) PARP1ALDH1A1MAPTTSHRMAOA
SCHEMBL9130576 0.78 PARP1 (0.60) PARP1ALDH1A1MAPTTSHRGAA
SCHEMBL14073051 0.78 PARP1 (0.70) PARP1ALDH1A1MAPTTSHRMAOA
SCHEMBL14073056 0.77 NPC1 (0.52) PARP1ALDH1A1MAPTTSHRGAA
SCHEMBL14073622 0.77 POLB (0.59) ALDH1A1MAPTKMT2APOLB
SCHEMBL4295364 0.76 PARP1 (0.65) PARP1ALDH1A1MAPTTSHRGAA

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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