SCHEMBL17313813

SCHEMBL17313813

[C]#Cc1ccc(C(=O)N2CCCC[C@H]2C(=O)NN)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.40
▸ HCRTR1 O43613 1/20 0.40
▸ RHOC P08134 1/20 0.39
▸ RHOA P61586 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ HPGD P15428 2/20 0.38
▸ GAA P10253 1/20 0.38

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
SCHEMBL15904222 1.00 CNR2 (0.43) CNR2TDP1HCRTR1RHOCRHOA
SCHEMBL15904014 0.90 MMP2 (0.46) CNR2TDP1HCRTR1RHOCRHOA
SCHEMBL17313720 0.90 MMP2 (0.46) CNR2TDP1HCRTR1RHOCRHOA
SCHEMBL15904691 0.86 TDP1 (0.54) TDP1HCRTR1L3MBTL1
SCHEMBL15904212 0.83 CA2 (0.51) TDP1L3MBTL1
SCHEMBL15904210 0.83 CA2 (0.51) TDP1L3MBTL1
SCHEMBL15903711 0.74 TDP1 (0.52) TDP1L3MBTL1HPGDGAA
SCHEMBL15904535 0.73 TDP1 (0.51) TDP1L3MBTL1HPGDGAA
SCHEMBL15904694 0.73 TDP1 (0.51) TDP1L3MBTL1HPGDGAA
SCHEMBL15904060 0.73 TDP1 (0.51) TDP1L3MBTL1HPGDGAA

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-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

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 CNR2 4825/4885TDP1 1723/4885HCRTR1 4358/4885

“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.

Send feedback