SCHEMBL12720859

SCHEMBL12720859

CN(C)c1ccnc(/C(=N\NC(=O)c2cc(N3CCCC3)ccn2)c2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 4/20 0.45
▸ SMN1; SMN2 Q16637 9/20 0.43
▸ RAB9A P51151 8/20 0.43
▸ MAPT P10636 8/20 0.43
▸ NPC1 O15118 4/20 0.43
▸ HTT P42858 7/20 0.42
▸ ALDH1A1 P00352 7/20 0.42
▸ LMNA P02545 5/20 0.42
▸ NPSR1 Q6W5P4 4/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ MITF O75030 2/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ TDP1 Q9NUW8 3/20 0.41
▸ NCOA3 Q9Y6Q9 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ NCOA1 Q15788 1/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ HPGD P15428 2/20 0.40
▸ POLB P06746 2/20 0.39

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
SCHEMBL12720863 0.92 CTSA (0.48) AGTR1SMN1; SMN2RAB9AMAPTNPC1
SCHEMBL12720868 0.82 USP30 (0.48) AGTR1SMN1; SMN2RAB9AMAPTNPC1
SCHEMBL12720873 0.72 USP30 (0.44) SMN1; SMN2RAB9AMAPTNPC1HTT
SCHEMBL12720836 0.70 NPC1 (0.59) AGTR1SMN1; SMN2RAB9AMAPTNPC1
SCHEMBL23894718 0.70 HRH4 (0.48) ALDH1A1KDM4E
SCHEMBL18135099 0.69 NFKB1 (0.51) SMN1; SMN2RAB9AMAPTNPC1HTT
SCHEMBL14882630 0.68 USP30 (0.52) SMN1; SMN2RAB9AMAPTNPC1HTT
SCHEMBL30489430 0.67 USP30 (0.47) SMN1; SMN2RAB9AMAPTNPC1HTT
SCHEMBL2533014 0.67 ALDH1A1 (0.51) SMN1; SMN2RAB9AMAPTNPC1HTT
SCHEMBL12720832 0.67 NPC1 (0.57) AGTR1SMN1; SMN2RAB9AMAPTNPC1

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 AGTR1 2778/4885SMN1; SMN2 3007/4885RAB9A 4379/4885

“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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