SCHEMBL12720857

SCHEMBL12720857

CC(=O)/C(C)=N/NC(=O)c1ccccn1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 10/20 0.78
▸ SMN1; SMN2 Q16637 2/20 0.78
▸ GAA P10253 10/20 0.65
▸ NPC1 O15118 9/20 0.65
▸ KMT2A Q03164 6/20 0.65
▸ MAPT P10636 3/20 0.63
▸ PKM P14618 3/20 0.60
▸ POLB P06746 2/20 0.59
▸ ALDH1A1 P00352 2/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ AGTR1 P30556 4/20 0.58
▸ MEN1 O00255 4/20 0.58
▸ OPRK1 P41145 3/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ KDM4E B2RXH2 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ PSMD14 O00487 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55

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
SCHEMBL12720841 0.93 RAB9A (0.88) RAB9ASMN1; SMN2GAANPC1KMT2A
SCHEMBL30873792 0.87 RAB9A (0.72) RAB9ASMN1; SMN2GAANPC1KMT2A
SCHEMBL12720817 0.85 NPC1 (0.76) RAB9ASMN1; SMN2GAANPC1KMT2A
SCHEMBL12720802 0.81 AGTR1 (0.71) RAB9ASMN1; SMN2GAANPC1KMT2A
SCHEMBL12720839 0.81 NPC1 (0.70) RAB9ASMN1; SMN2GAANPC1KMT2A
SCHEMBL24835694 0.78 RAB9A (0.60) RAB9ASMN1; SMN2GAANPC1KMT2A
SCHEMBL30777268 0.78 RAB9A (0.60) RAB9ASMN1; SMN2GAANPC1KMT2A
SCHEMBL3188677 0.78 ALDH1A1 (0.62) RAB9ASMN1; SMN2GAANPC1KMT2A
SCHEMBL4508472 0.77 CES2 (0.64) RAB9ASMN1; SMN2GAANPC1KMT2A
SCHEMBL12720823 0.76 AGTR1 (0.88) RAB9ASMN1; SMN2GAANPC1KMT2A

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 RAB9A 4379/4885SMN1; SMN2 3007/4885GAA 185/4885

“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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