SCHEMBL12720825

SCHEMBL12720825

O=C(NN=C(c1ccccn1)c1ccccn1)c1cccc(C(=O)NN=C(c2ccccn2)c2ccccn2)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 6/20 0.66
▸ RAB9A P51151 9/20 0.56
▸ SMN1; SMN2 Q16637 7/20 0.56
▸ NPC1 O15118 6/20 0.56
▸ NCOA3 Q9Y6Q9 2/20 0.56
▸ NCOA1 Q15788 1/20 0.56
▸ HTT P42858 5/20 0.54
▸ LMNA P02545 4/20 0.54
▸ NPSR1 Q6W5P4 3/20 0.54
▸ MITF O75030 2/20 0.54
▸ OPRK1 P41145 1/20 0.54
▸ KMT2A Q03164 6/20 0.54
▸ GAA P10253 6/20 0.54
▸ POLB P06746 3/20 0.53
▸ MAPT P10636 5/20 0.53
▸ TDP1 Q9NUW8 4/20 0.53
▸ ALDH1A1 P00352 4/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ HPGD P15428 2/20 0.51

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
SCHEMBL12720802 0.92 AGTR1 (0.71) AGTR1RAB9ASMN1; SMN2NPC1NCOA3
SCHEMBL1028452 0.84 AGTR1 (0.91) AGTR1RAB9ASMN1; SMN2NPC1NCOA3
SCHEMBL12720823 0.83 AGTR1 (0.88) AGTR1RAB9ASMN1; SMN2NPC1NCOA3
SCHEMBL1025581 0.81 AGTR1 (0.76) AGTR1RAB9ASMN1; SMN2NPC1NCOA3
SCHEMBL12720839 0.81 NPC1 (0.70) AGTR1RAB9ASMN1; SMN2NPC1OPRK1
SCHEMBL12720811 0.81 AGTR1 (0.58) AGTR1RAB9ASMN1; SMN2NPC1NCOA3
SCHEMBL1028098 0.80 AGTR1 (0.74) AGTR1RAB9ASMN1; SMN2NPC1NCOA3
SCHEMBL12955841 0.80 AGTR1 (0.60) AGTR1RAB9ASMN1; SMN2NPC1NCOA3
SCHEMBL15741850 0.79 AGTR1 (1.00) AGTR1RAB9ASMN1; SMN2NPC1NCOA3
SCHEMBL27178069 0.79 AGTR1 (1.00) AGTR1RAB9ASMN1; SMN2NPC1NCOA3

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 2778/4885RAB9A 4379/4885SMN1; 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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