SCHEMBL13454702

SCHEMBL13454702

Cc1cc(C)cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.61
▸ MAPT P10636 7/20 0.61
▸ ALOX12 P18054 5/20 0.61
▸ KMT2A Q03164 4/20 0.61
▸ LMNA P02545 3/20 0.61
▸ SMN1; SMN2 Q16637 3/20 0.61
▸ MEN1 O00255 3/20 0.61
▸ NPSR1 Q6W5P4 2/20 0.61
▸ POLB P06746 1/20 0.61
▸ HTT P42858 1/20 0.60
▸ GAA P10253 2/20 0.59
▸ HPGD P15428 2/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ CA1 P00915 1/20 0.54
▸ CA2 P00918 1/20 0.54
▸ CA9 Q16790 1/20 0.54
▸ PDPK1 O15530 1/20 0.53
▸ CYTH3 O43739 1/20 0.53
▸ AKT1 P31749 1/20 0.53
▸ KDM4E B2RXH2 2/20 0.52

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
SCHEMBL13454749 0.92 CA1 (0.66) ALDH1A1MAPTALOX12KMT2ALMNA
SCHEMBL13454730 0.91 ALDH1A1 (0.72) ALDH1A1MAPTALOX12KMT2ALMNA
SCHEMBL13454600 0.89 ALDH1A1 (0.58) ALDH1A1MAPTALOX12KMT2ASMN1; SMN2
SCHEMBL13454585 0.87 GPR55 (0.67) ALDH1A1MAPTALOX12KMT2ALMNA
SCHEMBL13454476 0.87 ALDH1A1 (0.63) ALDH1A1MAPTALOX12KMT2ALMNA
SCHEMBL13454703 0.86 KMT2A (0.56) ALDH1A1MAPTALOX12KMT2ALMNA
SCHEMBL13454772 0.86 ALOX5 (0.64) ALDH1A1MAPTALOX12KMT2ASMN1; SMN2
SCHEMBL13453698 0.86 KMT2A (0.63) ALDH1A1KMT2ALMNAMEN1NPSR1
SCHEMBL13454367 0.85 ALDH1A1 (0.68) ALDH1A1MAPTALOX12KMT2ALMNA
SCHEMBL13453908 0.84 MAPT (0.64) ALDH1A1MAPTALOX12KMT2ALMNA

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 ALDH1A1 4289/4885MAPT 781/4885ALOX12 2842/4885

“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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