SCHEMBL12443115

SCHEMBL12443115

O=[N+]([O-])c1ccc(/C=N/c2ccccc2O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 1/20 0.58
▸ G6PD P11413 1/20 0.55
▸ MAOB P27338 2/20 0.52
▸ PTGS2 P35354 2/20 0.51
▸ CA12 O43570 1/20 0.51
▸ CA1 P00915 1/20 0.51
▸ CA2 P00918 1/20 0.51
▸ CA9 Q16790 1/20 0.51
▸ MAPT P10636 3/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ MEN1 O00255 4/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ CASP3 P42574 1/20 0.49
▸ SENP8 Q96LD8 1/20 0.49
▸ SENP7 Q9BQF6 1/20 0.49
▸ SENP6 Q9GZR1 1/20 0.49
▸ GRIN2D O15399 2/20 0.49
▸ GRIN3B O60391 2/20 0.49
▸ GRIN1 Q05586 2/20 0.49

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
SCHEMBL6825490 1.00 CDK2 (0.58) CDK2G6PDMAOBPTGS2CA12
SCHEMBL10118539 0.84 MEN1 (0.60) CDK2PTGS2MAPTKDM4EALDH1A1
SCHEMBL15312914 0.84 MEN1 (0.60) CDK2PTGS2MAPTKDM4EALDH1A1
SCHEMBL14982912 0.83 CA12 (0.57) MAOBCA12CA2CA9MAPT
SCHEMBL9833860 0.82 CDK2 (0.70) CDK2G6PDMAOBMAPTKDM4E
SCHEMBL9833864 0.82 CDK2 (0.70) CDK2G6PDMAOBMAPTKDM4E
SCHEMBL4912834 0.81 MAPT (0.55) CDK2G6PDMAOBPTGS2CA12
SCHEMBL4912821 0.81 MAPT (0.55) CDK2G6PDMAOBPTGS2CA12
SCHEMBL12443189 0.81 MAPT (0.63) MAOBCA12CA2CA9MAPT
SCHEMBL3759468 0.80 MAPT (0.71) MAPTKDM4EALDH1A1MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785452-B2 Anti-infective compounds INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2014-07-22 — — US disclosed
US-20110178077-A1 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2011-07-21 — — 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-20110178077-A1 Anti-infective compounds RABGGTB, ELANE, SERPINB1 CDK2 1842/4885G6PD 248/4885MAOB 3853/4885

“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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