SCHEMBL17323735

SCHEMBL17323735

O=C(O)[C@@H]1CCCCN1C(=O)c1ccc(Br)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.57
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ CA2 P00918 1/20 0.53
▸ ALDH1A1 P00352 3/20 0.52
▸ HCRTR1 O43613 1/20 0.45
▸ TSHR P16473 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL17323684 0.85 KMT2A (0.54) ALDH1A1HCRTR1
SCHEMBL10658071 0.84 CA2 (0.58) TDP1L3MBTL1CA2ALDH1A1HCRTR1
SCHEMBL10658082 0.84 CA2 (0.58) TDP1L3MBTL1CA2ALDH1A1HCRTR1
SCHEMBL15904691 0.81 TDP1 (0.54) TDP1L3MBTL1CA2ALDH1A1HCRTR1
SCHEMBL3718786 0.81 TDP1 (0.65) TDP1L3MBTL1CA2ALDH1A1NPSR1
SCHEMBL3718790 0.81 TDP1 (0.65) TDP1L3MBTL1CA2ALDH1A1NPSR1
SCHEMBL3709752 0.79 L3MBTL1 (0.54) TDP1L3MBTL1ALDH1A1
SCHEMBL3709754 0.79 L3MBTL1 (0.54) TDP1L3MBTL1ALDH1A1
SCHEMBL15904212 0.78 CA2 (0.51) TDP1L3MBTL1CA2ALDH1A1NPSR1
SCHEMBL15904210 0.78 CA2 (0.51) TDP1L3MBTL1CA2ALDH1A1NPSR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9663488-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-05-30 — — US disclosed
US-9663488-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-05-30 — — US disclosed
US-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. 2015-12-10 — — US disclosed
US-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. 2015-12-10 — — 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-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO TDP1 1723/4885L3MBTL1 1568/4885CA2 209/4885

“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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