SCHEMBL420950

SCHEMBL420950

CC1=NN(c2ccccc2Cl)C(=O)/C1=C/c1ccc(O)c(OCO)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.54
KMT2A Q03164 9/20 0.48
L3MBTL1 Q9Y468 5/20 0.48
POLB P06746 1/20 0.48
AMY1A P0DUB6 5/20 0.48
MDM4 O15151 2/20 0.47
MDM2 Q00987 2/20 0.47
MEN1 O00255 7/20 0.46
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
HPGD P15428 3/20 0.43
CYP1A2 P05177 2/20 0.43
GAA P10253 2/20 0.43
THRB P10828 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP3A4 P08684 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
EP300 Q09472 1/20 0.42

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
SCHEMBL445799 0.92 PTGS2 (0.64) PTGS2KMT2AL3MBTL1POLBAMY1A
SCHEMBL445798 0.92 PTGS2 (0.64) PTGS2KMT2AL3MBTL1POLBAMY1A
SCHEMBL3887396 0.73 KMT2A (0.60) PTGS2KMT2AL3MBTL1POLBAMY1A
SCHEMBL3887393 0.73 KMT2A (0.60) PTGS2KMT2AL3MBTL1POLBAMY1A
SCHEMBL418891 0.73 MEN1 (0.60) KMT2AL3MBTL1AMY1AMEN1ALDH1A1
SCHEMBL445970 0.73 MEN1 (0.60) KMT2AL3MBTL1AMY1AMEN1ALDH1A1
SCHEMBL446664 0.70 KMT2A (0.66) PTGS2KMT2AL3MBTL1POLBMDM4
SCHEMBL446663 0.70 KMT2A (0.66) PTGS2KMT2AL3MBTL1POLBMDM4
SCHEMBL420579 0.70 KMT2A (0.66) PTGS2KMT2AL3MBTL1POLBMDM4
SCHEMBL3678658 0.69 KMT2A (0.72) PTGS2KMT2AL3MBTL1POLBMEN1

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-20120065198-A2 Detection and Treatment of Schizophrenia TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2012-03-15 US disclosed
US-20120065198-A2 Detection and Treatment of Schizophrenia TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2012-03-15 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-20120065198-A2 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 PTGS2 347/4885KMT2A 1703/4885L3MBTL1 3146/4885

“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.