SCHEMBL1173953

SCHEMBL1173953

CC(C)(C)c1ccc(C(=O)NN=Cc2c(O)ccc3ccccc23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 11/20 0.78
▸ KMT2A Q03164 11/20 0.78
▸ NPC1 O15118 8/20 0.78
▸ IDO1 P14902 2/20 0.73
▸ PAX8 Q06710 1/20 0.71
▸ RAB9A P51151 8/20 0.67
▸ KLF5 Q13887 3/20 0.67
▸ POLB P06746 2/20 0.67
▸ SMN1; SMN2 Q16637 3/20 0.66
▸ L3MBTL1 Q9Y468 2/20 0.66
▸ MAPT P10636 2/20 0.66
▸ HTT P42858 2/20 0.66
▸ HSP90AA1 P07900 2/20 0.66
▸ KDM4E B2RXH2 1/20 0.66
▸ LMNA P02545 1/20 0.66
▸ GAA P10253 1/20 0.66
▸ HPGD P15428 1/20 0.66
▸ ALOX12 P18054 1/20 0.66
▸ PTBP1 P26599 1/20 0.66
▸ MITF O75030 1/20 0.66

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
SCHEMBL12868876 1.00 MEN1 (0.78) MEN1KMT2ANPC1IDO1PAX8
SCHEMBL29364291 1.00 MEN1 (0.78) MEN1KMT2ANPC1IDO1PAX8
SCHEMBL1173951 1.00 MEN1 (0.78) MEN1KMT2ANPC1IDO1PAX8
SCHEMBL12868819 0.88 MEN1 (0.81) MEN1KMT2ANPC1IDO1PAX8
SCHEMBL2847708 0.87 MEN1 (0.85) MEN1KMT2ANPC1IDO1PAX8
SCHEMBL683715 0.87 MEN1 (0.85) MEN1KMT2ANPC1IDO1PAX8
SCHEMBL12868862 0.86 ESRRG (0.60) MEN1KMT2ANPC1IDO1PAX8
SCHEMBL1175043 0.86 ESRRG (0.60) MEN1KMT2ANPC1IDO1PAX8
SCHEMBL1175041 0.86 ESRRG (0.60) MEN1KMT2ANPC1IDO1PAX8
SCHEMBL14223812 0.85 MEN1 (0.81) MEN1KMT2ANPC1IDO1PAX8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110046101-A1 BATE-LACTAMASE INHIBITORS DMITRIENKO GARY I 2011-02-24 — — 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-20110046101-A1 BATE-LACTAMASE INHIBITORS OXA1L, MGAM, PREP MEN1 1096/4885KMT2A 1901/4885NPC1 1829/4885

“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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