SCHEMBL4887979

SCHEMBL4887979

COc1ccc(/C=N/O)c(C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ LMNA P02545 3/20 0.50
▸ HPGD P15428 3/20 0.50
▸ HTT P42858 1/20 0.50
▸ ALDH1A1 P00352 5/20 0.45
▸ MAPT P10636 5/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ TRIM24 O15164 1/20 0.44
▸ TYR P14679 1/20 0.44
▸ TRIM33 Q9UPN9 1/20 0.44
▸ CYP1A2 P05177 3/20 0.44
▸ CYP1A1 P04798 2/20 0.44
▸ CYP1B1 Q16678 2/20 0.44
▸ GRIN2D O15399 2/20 0.44
▸ GRIN3B O60391 2/20 0.44
▸ GRIN1 Q05586 2/20 0.44
▸ GRIN2A Q12879 2/20 0.44
▸ GRIN2B Q13224 2/20 0.44

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
SCHEMBL4887982 1.00 KMT2A (0.55) KMT2AL3MBTL1KDM4ELMNAHPGD
SCHEMBL2009041 0.81 GRIN2D (0.64) KMT2AL3MBTL1KDM4ELMNAHPGD
SCHEMBL2009040 0.81 GRIN2D (0.64) KMT2AL3MBTL1KDM4ELMNAHPGD
SCHEMBL7349126 0.81 TRIM24 (0.62) KMT2AL3MBTL1KDM4ELMNAHPGD
SCHEMBL30481109 0.81 GRIN2D (0.64) KMT2AL3MBTL1KDM4ELMNAHPGD
SCHEMBL8237102 0.81 GRIN2D (0.64) KMT2AL3MBTL1KDM4ELMNAHPGD
SCHEMBL10361954 0.81 HPGD (0.41) KMT2AL3MBTL1KDM4ELMNAHPGD
SCHEMBL11266428 0.80 KMT2A (0.61) KMT2AL3MBTL1KDM4ELMNAHPGD
SCHEMBL8692626 0.80 AMY1A (0.59) KMT2AL3MBTL1KDM4ELMNAHPGD
SCHEMBL11266435 0.80 KMT2A (0.61) KMT2AL3MBTL1KDM4ELMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080255202-A1 Phenylthioacetic Acid Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2008-10-16 — — US disclosed
US-20080255202-A1 Phenylthioacetic Acid Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2008-10-16 — — US disclosed
US-20080255202-A1 Phenylthioacetic Acid Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2008-10-16 — — 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-20080255202-A1 Phenylthioacetic Acid Derivatives and Use Thereof PAH, TST, MPST KMT2A 2353/4885L3MBTL1 1702/4885KDM4E 3732/4885

“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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