SCHEMBL6141389

SCHEMBL6141389

COc1cccc(NC(=O)c2ccc(N3CCC(NCCC(O)COc4ccc(O)c([S+](C)[O-])c4)CC3)nc2)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.42
DGAT1 O75907 7/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP3A4 P08684 1/20 0.39
SOAT1 P35610 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
ACKR3 P25106 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PRMT5 O14744 2/20 0.37
WDR77 Q9BQA1 2/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37

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
SCHEMBL6139612 0.86 HSP90AA1 (0.38) KDM4EHPGDMEN1KMT2ALMNA
SCHEMBL6140070 0.85 ALDH1A1 (0.47) KDM4EHPGDLMNAMAPK1HTT
SCHEMBL6139717 0.83 HSD17B10 (0.40) KDM4EHPGDHSD17B10
SCHEMBL6139691 0.82 ALDH1A1 (0.44) KDM4EHPGDHSD17B10PRMT5
SCHEMBL7470047 0.79 ADRB3 (0.45) CYP3A4LMNA
SCHEMBL6139574 0.78 ALDH1A1 (0.46) KDM4EMEN1KMT2ALMNAMAPK1
SCHEMBL7458989 0.77 HRH3 (0.43) CYP3A4LMNA
SCHEMBL6139617 0.76 ADRB3 (0.41) KDM4EHPGDCYP3A4HSD17B10PRMT5
SCHEMBL6140089 0.74 P2RY12 (0.41) DGAT1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL6140213 0.72 KDM4E (0.62) KDM4EHPGDDGAT1MEN1KMT2A

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-6852736-B2 Phenoxypropanolamines, preparation and therapeutic use thereof SANOFI-SYNTHELABO (FR) 2005-02-08 US disclosed
US-20030105135-A1 Phenoxypropanolamines, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2003-06-05 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-20030105135-A1 Phenoxypropanolamines, preparation and therapeutic use thereof CNR1, ADRB3, ADRB1 KDM4E 1468/4885HPGD 2286/4885DGAT1 2183/4885

“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.