SCHEMBL13453769

SCHEMBL13453769

CCOc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccccc3C)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.70
▸ KMT2A Q03164 4/20 0.70
▸ MEN1 O00255 3/20 0.70
▸ MAPT P10636 6/20 0.67
▸ NPSR1 Q6W5P4 4/20 0.67
▸ ALOX12 P18054 4/20 0.67
▸ LMNA P02545 3/20 0.67
▸ GAA P10253 2/20 0.67
▸ POLB P06746 1/20 0.67
▸ HTT P42858 3/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ HPGD P15428 1/20 0.54
▸ NPC1 O15118 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ MAPK1 P28482 1/20 0.52
▸ GPR55 Q9Y2T6 1/20 0.52
▸ RAB9A P51151 1/20 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
SCHEMBL17066548 0.90 KMT2A (0.70) ALDH1A1KMT2AMEN1MAPTNPSR1
SCHEMBL13454451 0.90 ALDH1A1 (0.70) ALDH1A1KMT2AMEN1MAPTNPSR1
SCHEMBL13454712 0.89 ALDH1A1 (0.69) ALDH1A1KMT2AMEN1MAPTNPSR1
SCHEMBL13454721 0.89 ALDH1A1 (0.69) ALDH1A1KMT2AMEN1MAPTNPSR1
SCHEMBL13454758 0.89 ALDH1A1 (0.69) ALDH1A1KMT2AMEN1MAPTNPSR1
SCHEMBL13454373 0.89 KMT2A (0.69) ALDH1A1KMT2AMEN1MAPTNPSR1
SCHEMBL13453795 0.89 ALDH1A1 (0.65) ALDH1A1KMT2AMEN1MAPTNPSR1
SCHEMBL13454547 0.88 ALDH1A1 (0.68) ALDH1A1KMT2AMEN1MAPTNPSR1
SCHEMBL13470048 0.87 ALDH1A1 (0.67) ALDH1A1KMT2AMEN1MAPTNPSR1
SCHEMBL13453772 0.87 ALDH1A1 (0.67) ALDH1A1KMT2AMEN1MAPTNPSR1

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 4 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
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 4289/4885KMT2A 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.

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