SCHEMBL12720931

SCHEMBL12720931

O=C(N/N=C(/c1ccc2cccc(O)c2n1)C(c1ccccc1)c1ccccc1)c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.46
▸ KDM4E B2RXH2 4/20 0.46
▸ LMNA P02545 3/20 0.46
▸ TDP1 Q9NUW8 3/20 0.46
▸ OPRK1 P41145 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ KMT2A Q03164 5/20 0.45
▸ MITF O75030 1/20 0.45
▸ RAB9A P51151 6/20 0.42
▸ NPC1 O15118 6/20 0.42
▸ GAA P10253 6/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ PIM1 P11309 1/20 0.41
▸ AGTR1 P30556 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ TP53 P04637 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ ALOX12 P18054 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
SCHEMBL12720927 0.82 AGTR1 (0.60) SMN1; SMN2KDM4ELMNATDP1OPRK1
SCHEMBL12720926 0.81 NPC1 (0.60) SMN1; SMN2KDM4EOPRK1HTTKMT2A
SCHEMBL12720952 0.77 KDM4E (0.55) SMN1; SMN2KDM4ELMNATDP1OPRK1
SCHEMBL12720966 0.77 KDM4E (0.55) SMN1; SMN2KDM4ELMNATDP1OPRK1
SCHEMBL12720904 0.73 MAPT (0.60) SMN1; SMN2KDM4ELMNATDP1OPRK1
SCHEMBL4035524 0.72 NPC1 (0.62) SMN1; SMN2KDM4ELMNATDP1HTT
SCHEMBL6430262 0.69 KDM4E (0.50) SMN1; SMN2KDM4ELMNATDP1HTT
SCHEMBL9779162 0.66 AGTR1 (0.57) SMN1; SMN2KDM4ELMNATDP1OPRK1
Oxyquinoline SCHEMBL5693252 0.66 LMNA (0.70) SMN1; SMN2KDM4ELMNATDP1HTT
Oxyquinoline SCHEMBL31621298 0.66 KDM4E (0.81) SMN1; SMN2KDM4ELMNATDP1HTT

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 SMN1; SMN2 3007/4885KDM4E 1557/4885LMNA 2474/4885

“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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