SCHEMBL7084232

SCHEMBL7084232

CCOc1ccc(-n2c(N)cc(=O)[nH]c2=S)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
KMT2A Q03164 5/20 0.49
GAA P10253 3/20 0.48
MAPT P10636 4/20 0.46
MEN1 O00255 3/20 0.45
POLB P06746 2/20 0.45
RECQL P46063 1/20 0.45
PKM P14618 2/20 0.43
CACNA2D1 P54289 1/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 2/20 0.42
TSHR P16473 1/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL4495436 0.85 ATM (0.55) ALDH1A1KMT2AGAAMAPTMEN1
SCHEMBL7255769 0.80 ALDH1A1 (0.60) ALDH1A1KMT2AGAAMAPTMEN1
SCHEMBL4500342 0.77 MAPT (0.68) ALDH1A1KMT2AGAAMAPTMEN1
SCHEMBL7088161 0.77 GAA (0.55) ALDH1A1KMT2AGAAMAPTMEN1
SCHEMBL4471375 0.73 GAA (0.61) ALDH1A1KMT2AGAAMAPTMEN1
SCHEMBL4465659 0.73 KMT2A (0.43) ALDH1A1KMT2AGAAMAPTMEN1
SCHEMBL2561137 0.71 MAPT (0.47) ALDH1A1KMT2AGAAMAPTMEN1
SCHEMBL4511434 0.70 GAA (0.54) ALDH1A1KMT2AGAAMAPTMEN1
SCHEMBL2574933 0.70 MAPT (0.52) ALDH1A1KMT2AGAAMAPTMEN1
SCHEMBL26756671 0.70 MAPT (0.58) ALDH1A1KMT2AGAAMAPTMEN1

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-20030232813-A1 Novel amino substituted pyrimidinone derivatives ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2003-12-18 US disclosed
WO-2003084936-A2 AMINO SUBSTITUTED PYRIMIDINONE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION AND IMMUNOLOGICAL ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2003-10-16 WO 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-20030232813-A1 Novel amino substituted pyrimidinone derivatives TPMT, TYMP, CYP3A5 ALDH1A1 596/4885KMT2A 3187/4885GAA 1958/4885

“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.