SCHEMBL13453698

SCHEMBL13453698

Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)n1

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.63
▸ MEN1 O00255 1/20 0.63
▸ ALDH1A1 P00352 4/20 0.62
▸ PCTP Q9UKL6 3/20 0.61
▸ POLB P06746 2/20 0.61
▸ NPSR1 Q6W5P4 1/20 0.61
▸ GAA P10253 1/20 0.57
▸ HPGD P15428 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ LMNA P02545 1/20 0.53

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
SCHEMBL13453703 0.92 CA1 (0.64) KMT2AMEN1ALDH1A1PCTPPOLB
SCHEMBL13453699 0.91 ALDH1A1 (0.70) KMT2AMEN1ALDH1A1PCTPPOLB
SCHEMBL13453581 0.86 MEN1 (0.69) KMT2AMEN1ALDH1A1PCTPPOLB
SCHEMBL13454702 0.86 ALDH1A1 (0.61) KMT2AMEN1ALDH1A1POLBNPSR1
SCHEMBL13454476 0.85 ALDH1A1 (0.63) KMT2AMEN1ALDH1A1POLBNPSR1
SCHEMBL13454600 0.85 ALDH1A1 (0.58) KMT2AMEN1ALDH1A1GAAHPGD
SCHEMBL13453629 0.85 PCTP (0.73) KMT2AMEN1ALDH1A1PCTPPOLB
SCHEMBL13453684 0.84 MEN1 (0.69) KMT2AMEN1ALDH1A1PCTPPOLB
SCHEMBL1235823 0.84 ALDH1A1 (0.71) KMT2AMEN1ALDH1A1PCTPPOLB
SCHEMBL13453694 0.84 PCTP (0.65) KMT2AMEN1ALDH1A1PCTPPOLB

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 3 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-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 KMT2A 1676/4885MEN1 1940/4885ALDH1A1 4289/4885

“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.

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