SCHEMBL12720873

SCHEMBL12720873

CCCC/C(=N/NC(=O)c1cc(N2CCCC2)ccn1)c1cc(N2CCCC2)ccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.42
▸ HRH4 Q9H3N8 2/20 0.41
▸ CTSA P10619 1/20 0.39
▸ SMN1; SMN2 Q16637 8/20 0.39
▸ NPC1 O15118 6/20 0.39
▸ RAB9A P51151 6/20 0.39
▸ MAPT P10636 6/20 0.39
▸ HTT P42858 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ KLF5 Q13887 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ MTOR P42345 1/20 0.37
▸ TP53 P04637 2/20 0.36
▸ OGG1 O15527 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ NFKB1 P19838 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35

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
SCHEMBL12720868 0.80 USP30 (0.48) USP30ALDH1A1HRH4CTSASMN1; SMN2
SCHEMBL18135099 0.73 NFKB1 (0.51) USP30HRH4CTSASMN1; SMN2NPC1
SCHEMBL14882630 0.72 USP30 (0.52) USP30ALDH1A1HRH4CTSASMN1; SMN2
SCHEMBL12720859 0.72 AGTR1 (0.45) USP30ALDH1A1CTSASMN1; SMN2NPC1
SCHEMBL2532995 0.69 USP30 (0.52) USP30ALDH1A1HRH4CTSASMN1; SMN2
SCHEMBL12720832 0.69 NPC1 (0.57) ALDH1A1CTSASMN1; SMN2NPC1RAB9A
SCHEMBL2539328 0.69 NPC1 (0.48) USP30ALDH1A1HRH4NPC1RAB9A
SCHEMBL30489430 0.68 USP30 (0.47) USP30ALDH1A1HRH4SMN1; SMN2NPC1
SCHEMBL2533014 0.68 ALDH1A1 (0.51) USP30ALDH1A1HRH4SMN1; SMN2NPC1
SCHEMBL12720836 0.68 NPC1 (0.59) ALDH1A1CTSASMN1; SMN2NPC1RAB9A

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-7928049-B2 Use of metal complex compounds as oxidation catalysts BASF SE Ludwigshafen (DE) 2011-04-19 — — US disclosed
US-7928049-B2 Use of metal complex compounds as oxidation catalysts BASF SE Ludwigshafen (DE) 2011-04-19 — — US disclosed
US-20110021407-A1 USE OF METAL COMPLEX COMPOUNDS AS OXIDATION CATALYSTS CIBA CORPORATION (US) 2011-01-27 — — US disclosed
US-20110021407-A1 USE OF METAL COMPLEX COMPOUNDS AS OXIDATION CATALYSTS CIBA CORPORATION (US) 2011-01-27 — — 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-20110021407-A1 USE OF METAL COMPLEX COMPOUNDS AS OXIDATION CATALYSTS SOD1, MPO, LPO USP30 1119/4885ALDH1A1 419/4885HRH4 1001/4885

“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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