SCHEMBL10132907

SCHEMBL10132907

O=C(NCCc1ccc(-c2ccc(OCN3CCOCC3)cc2)cc1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.60
▸ CD274 Q9NZQ7 4/20 0.58
▸ HPGD P15428 1/20 0.58
▸ CA12 O43570 1/20 0.54
▸ CA1 P00915 1/20 0.54
▸ CA2 P00918 1/20 0.54
▸ CA9 Q16790 1/20 0.54
▸ ESR1 P03372 1/20 0.53
▸ ESR2 Q92731 1/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ NPC1 O15118 4/20 0.52
▸ RAB9A P51151 4/20 0.52
▸ MAPT P10636 2/20 0.52
▸ HPGDS O60760 1/20 0.52
▸ NFKB1 P19838 1/20 0.50
▸ NFKB2 Q00653 1/20 0.50
▸ RELA Q04206 1/20 0.50

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
SCHEMBL10132780 0.90 HPGD (0.62) KDM4ECD274HPGDKMT2AMEN1
SCHEMBL10132920 0.89 HRH3 (0.62) KDM4ECD274HPGDKMT2AMEN1
SCHEMBL10132884 0.80 BCHE (0.55) CA12CA1CA2CA9ESR1
SCHEMBL7705653 0.78 ALDH1A1 (0.77) KDM4ECD274HPGDKMT2ASMN1; SMN2
SCHEMBL10132881 0.78 ESR1 (0.55) ESR1ESR2ALDH1A1NPC1RAB9A
SCHEMBL10132965 0.78 MEN1 (0.58) HPGDKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL10132914 0.77 SRC (0.64) ESR1ESR2KMT2AMEN1SMN1; SMN2
SCHEMBL10132913 0.77 SRC (0.64) ESR1ESR2KMT2AMEN1SMN1; SMN2
SCHEMBL10132893 0.76 ABL1 (0.55) KDM4EESR1ESR2KMT2ASMN1; SMN2
SCHEMBL10132960 0.76 KDM1A (0.52) KDM4ESMN1; SMN2NPC1RAB9A

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-8124605-B2 Compositions and methods for modulating a kinase cascade KINEX PHARMACEUTICALS, LLC (US) 2012-02-28 — — US disclosed
US-8124605-B2 Compositions and methods for modulating a kinase cascade KINEX PHARMACEUTICALS, LLC (US) 2012-02-28 — — US disclosed
US-20090149510-A1 Compositions and methods for modulating a kinase cascade OAKTREE FUND ADMINISTRATION, LLC 2009-06-11 — — US disclosed
US-20090149510-A1 Compositions and methods for modulating a kinase cascade OAKTREE FUND ADMINISTRATION, LLC 2009-06-11 — — 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-20090149510-A1 Compositions and methods for modulating a kinase cascade MAP3K6, MAP3K4, MAP3K3 KDM4E 2173/4885CD274 4344/4885HPGD 3936/4885

“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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