SCHEMBL13470486

SCHEMBL13470486

CCOc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccc(OC)cc3)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.73
KMT2A Q03164 9/20 0.73
MEN1 O00255 6/20 0.73
ALOX12 P18054 6/20 0.69
MAPT P10636 5/20 0.69
NPSR1 Q6W5P4 4/20 0.69
GAA P10253 2/20 0.69
LMNA P02545 1/20 0.69
POLB P06746 1/20 0.69
HTT P42858 2/20 0.67
HPGD P15428 1/20 0.66
CA1 P00915 1/20 0.66
CA2 P00918 1/20 0.66
CA9 Q16790 1/20 0.66
TAAR1 Q96RJ0 1/20 0.64
GPR55 Q9Y2T6 2/20 0.60
KDM4E B2RXH2 1/20 0.60
NPC1 O15118 1/20 0.60
CYP1A2 P05177 1/20 0.60
PPIA P62937 1/20 0.59

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
SCHEMBL13470017 1.00 ALDH1A1 (0.73) ALDH1A1KMT2AMEN1ALOX12MAPT
SCHEMBL13469775 0.96 ALDH1A1 (0.79) ALDH1A1KMT2AMEN1ALOX12MAPT
SCHEMBL13469732 0.93 ALDH1A1 (0.72) ALDH1A1KMT2AMEN1ALOX12MAPT
SCHEMBL13470114 0.92 ALDH1A1 (0.76) ALDH1A1KMT2AMEN1ALOX12MAPT
SCHEMBL13469750 0.92 ALDH1A1 (0.70) ALDH1A1KMT2AMEN1ALOX12MAPT
SCHEMBL13453959 0.92 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1ALOX12MAPT
SCHEMBL17066612 0.92 ALDH1A1 (0.73) ALDH1A1KMT2AMEN1ALOX12MAPT
SCHEMBL12903670 0.92 ALDH1A1 (0.73) ALDH1A1KMT2AMEN1ALOX12MAPT
SCHEMBL17066568 0.92 KMT2A (0.73) ALDH1A1KMT2AMEN1ALOX12MAPT
SCHEMBL13453799 0.92 KMT2A (0.77) ALDH1A1KMT2AMEN1ALOX12MAPT

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 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.