SCHEMBL12720836

SCHEMBL12720836

O=C(NN=C(c1ccccn1)c1ccccn1)c1cc(N2CCOCC2)ccn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.59
▸ RAB9A P51151 6/20 0.59
▸ MAPT P10636 5/20 0.59
▸ PKM P14618 3/20 0.59
▸ MEN1 O00255 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ CTSA P10619 1/20 0.51
▸ AGTR1 P30556 2/20 0.48
▸ MTOR P42345 2/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ KLF5 Q13887 1/20 0.45
▸ BRD9 Q9H8M2 1/20 0.44
▸ BAZ2B Q9UIF8 1/20 0.44
▸ GAA P10253 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ ATM Q13315 1/20 0.43

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
SCHEMBL12720832 0.89 NPC1 (0.57) NPC1RAB9AMAPTPKMMEN1
SCHEMBL12720868 0.81 USP30 (0.48) NPC1RAB9AMAPTPKMMEN1
SCHEMBL12720863 0.80 CTSA (0.48) NPC1RAB9AMAPTPKMMEN1
SCHEMBL14875861 0.78 CTSA (0.54) NPC1RAB9AMAPTPKMMEN1
SCHEMBL18135106 0.77 CTSA (0.56) NPC1RAB9AMAPTPKMMEN1
SCHEMBL1053757 0.77 CTSA (0.56) NPC1RAB9AMAPTPKMMEN1
SCHEMBL12720802 0.76 AGTR1 (0.71) NPC1RAB9AMAPTPKMMEN1
SCHEMBL2465416 0.75 CTSA (0.47) NPC1RAB9AMAPTPKMMEN1
SCHEMBL12720811 0.74 AGTR1 (0.58) NPC1RAB9AMAPTPKMMEN1
SCHEMBL10098367 0.74 KMO (0.57) NPC1RAB9AMAPTPKMMEN1

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 NPC1 4651/4885RAB9A 4379/4885MAPT 1746/4885

“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