SCHEMBL7549453

SCHEMBL7549453

COc1cccc(/C(=C/C2=NCCN2C(=O)OC(C)(C)C)c2ccncc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.41
KDM2B Q8NHM5 1/20 0.40
SLC2A1 P11166 1/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
ABL1 P00519 2/20 0.39
BCR P11274 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GPR6 P46095 1/20 0.39
CYP11B1 P15538 1/20 0.38

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
SCHEMBL7549956 1.00 KMT2A (0.42) KMT2AMEN1NPC1KDM2BSLC2A1
SCHEMBL7549457 1.00 KMT2A (0.42) KMT2AMEN1NPC1KDM2BSLC2A1
SCHEMBL7599426 0.88 NPC1 (0.43) KMT2ANPC1KDM2BALDH1A1HPGD
SCHEMBL7599430 0.88 NPC1 (0.43) KMT2ANPC1KDM2BALDH1A1HPGD
SCHEMBL7554258 0.72 ROCK2 (0.41) SLC2A1CYP2D6CYP3A4CYP2C9CYP11B1
SCHEMBL7555175 0.71 NISCH (0.46) KMT2ANPC1CYP1A2CYP2D6CYP1A1
SCHEMBL7555168 0.71 NISCH (0.46) KMT2ANPC1CYP1A2CYP2D6CYP1A1
SCHEMBL7555183 0.71 NISCH (0.46) KMT2ANPC1CYP1A2CYP2D6CYP1A1
SCHEMBL27315395 0.67 PARP14 (0.56) KMT2AMEN1NPC1ALDH1A1CYP1A2
SCHEMBL4029309 0.66 CES2 (0.77) KMT2AMEN1NPC1ALDH1A1HPGD

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-20020132812-A1 Oral hypoglycaemic agents NOVO NORDISK A/S (DK) 2002-09-19 US disclosed
WO-2002038559-A1 1,3-DIAZAHETEROCYCLIC COMPOUNDS AND THEIR USE AS ORAL HYPOGLYCAEMIC AGENTS NOVO NORDISK A/S (DK) 2002-05-16 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-20020132812-A1 Oral hypoglycaemic agents SLC5A2, GPR119, SLC5A1 KMT2A 3961/4885MEN1 3013/4885NPC1 1949/4885

“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.