SCHEMBL12720863

SCHEMBL12720863

CN(C)c1ccnc(/C(=N\NC(=O)c2cc(N3CCOCC3)ccn2)c2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSA P10619 1/20 0.48
▸ MAPT P10636 7/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ HTT P42858 4/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ MTOR P42345 2/20 0.45
▸ MEN1 O00255 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ AGTR1 P30556 2/20 0.43
▸ MITF O75030 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ FGFR1 P11362 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ EPHB4 P54760 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40

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
SCHEMBL12720859 0.92 AGTR1 (0.45) CTSAMAPTSMN1; SMN2HTTRAB9A
SCHEMBL12720836 0.80 NPC1 (0.59) CTSAMAPTSMN1; SMN2HTTRAB9A
SCHEMBL12720832 0.77 NPC1 (0.57) CTSAMAPTSMN1; SMN2RAB9AALDH1A1
SCHEMBL12720868 0.73 USP30 (0.48) CTSAMAPTSMN1; SMN2HTTRAB9A
SCHEMBL18135106 0.72 CTSA (0.56) CTSAMAPTSMN1; SMN2RAB9AALDH1A1
SCHEMBL14875861 0.71 CTSA (0.54) CTSAMAPTSMN1; SMN2RAB9AALDH1A1
SCHEMBL1053757 0.70 CTSA (0.56) CTSAMAPTSMN1; SMN2RAB9AALDH1A1
SCHEMBL18135115 0.70 CTSA (0.48) CTSAMAPTSMN1; SMN2RAB9AALDH1A1
SCHEMBL10098367 0.69 KMO (0.57) CTSAMAPTSMN1; SMN2RAB9AALDH1A1
SCHEMBL14882802 0.69 CTSA (0.47) CTSAMAPTSMN1; SMN2RAB9AALDH1A1

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 CTSA 1281/4885MAPT 1746/4885SMN1; SMN2 3007/4885

“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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