SCHEMBL13469719

SCHEMBL13469719

COCCOc1ccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)Nc3cc(OC)nc(OC)n3)cc2)cc1Br

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.71
KMT2A Q03164 7/20 0.70
MEN1 O00255 5/20 0.70
GAA P10253 1/20 0.69
ALOX12 P18054 5/20 0.62
ALDH1A1 P00352 7/20 0.61
POLB P06746 1/20 0.61
MAPT P10636 4/20 0.60
KDM4E B2RXH2 1/20 0.60
CHIA Q9BZP6 1/20 0.59
LMNA P02545 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
HPGD P15428 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55

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
SCHEMBL13453502 0.95 TP53 (0.70) TP53KMT2AMEN1GAAALOX12
SCHEMBL13470243 0.94 TP53 (0.73) TP53KMT2AMEN1GAAALOX12
SCHEMBL13469840 0.93 TP53 (0.67) TP53KMT2AMEN1GAAALOX12
SCHEMBL13453512 0.93 TP53 (0.67) TP53KMT2AMEN1GAAALOX12
SCHEMBL13469947 0.92 TP53 (0.84) TP53KMT2AMEN1GAAALOX12
SCHEMBL13453494 0.91 KMT2A (0.70) TP53KMT2AMEN1GAAALOX12
SCHEMBL17066587 0.91 TP53 (0.69) TP53KMT2AMEN1GAAALOX12
SCHEMBL17066492 0.89 TP53 (0.76) TP53KMT2AMEN1GAAALOX12
SCHEMBL13469959 0.88 KMT2A (0.84) KMT2AMEN1GAAALOX12ALDH1A1
SCHEMBL13453486 0.88 KMT2A (0.64) TP53KMT2AMEN1GAAALOX12

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-9126938-B2 Phosphatidylcholine transfer protein inhibitors THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2015-09-08 US disclosed
US-20120264756-A1 Phosphatidylcholine Transfer Protein Inhibitors THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2012-10-18 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-20120264756-A1 Phosphatidylcholine Transfer Protein Inhibitors PCTP, LCAT, CETP TP53 4776/4885KMT2A 1676/4885MEN1 1940/4885

“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.