SCHEMBL12720938

SCHEMBL12720938

Oc1cccc2ccc(/C(=N\Nc3ccccn3)c3ccccc3)nc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.54
▸ KDM4E B2RXH2 3/20 0.54
▸ ALOX12 P18054 3/20 0.54
▸ TP53 P04637 3/20 0.54
▸ RAB9A P51151 3/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ TSHR P16473 2/20 0.54
▸ LMNA P02545 2/20 0.54
▸ NPC1 O15118 2/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ KLF5 Q13887 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ KDM4A O75164 2/20 0.48
▸ KDM6B O15054 1/20 0.48
▸ TET3 O43151 1/20 0.48
▸ KDM4B O94953 1/20 0.48
▸ KDM5A P29375 1/20 0.48
▸ KDM5C P41229 1/20 0.48

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
SCHEMBL12720928 0.83 SMN1; SMN2 (0.56) KMT2AKDM4EALOX12TP53RAB9A
SCHEMBL12720927 0.81 AGTR1 (0.60) KMT2AKDM4EALOX12TP53RAB9A
SCHEMBL20101080 0.78 KDM4E (0.72) KMT2AKDM4EALOX12TP53RAB9A
SCHEMBL4926318 0.78 KDM4E (0.72) KMT2AKDM4EALOX12TP53RAB9A
SCHEMBL15267189 0.77 KDM4E (0.58) KMT2AKDM4EALOX12TP53RAB9A
SCHEMBL20101032 0.73 KDM4E (0.58) KMT2AKDM4EALOX12TP53RAB9A
SCHEMBL12720910 0.72 RAB9A (0.58) KMT2AKDM4EALOX12TP53RAB9A
SCHEMBL8342587 0.71 ALOX12 (1.00) KMT2AKDM4EALOX12TP53RAB9A
SCHEMBL31307165 0.71 PAX8 (0.69) KMT2AKDM4EALOX12TP53RAB9A
SCHEMBL19456445 0.71 PAX8 (0.69) KMT2AKDM4EALOX12TP53RAB9A

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 KMT2A 2058/4885KDM4E 1557/4885ALOX12 918/4885

“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