SCHEMBL13454591

SCHEMBL13454591

O=C(NC(=S)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.65
GAA P10253 4/20 0.65
HPGD P15428 1/20 0.65
KMT2A Q03164 7/20 0.63
MEN1 O00255 6/20 0.63
GPR55 Q9Y2T6 1/20 0.62
LMNA P02545 3/20 0.62
MAPT P10636 2/20 0.61
TDP1 Q9NUW8 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.58
SLC12A2 P55011 1/20 0.57
SLC12A5 Q9H2X9 1/20 0.57
POLB P06746 1/20 0.57
ALPL P05186 1/20 0.56
HTT P42858 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
SCHEMBL13454742 0.90 MAPT (0.61) ALDH1A1GAAHPGDKMT2AMEN1
SCHEMBL13454744 0.89 LMNA (0.62) ALDH1A1GAAHPGDKMT2AMEN1
SCHEMBL13453986 0.88 LMNA (0.62) ALDH1A1GAAHPGDKMT2AMEN1
SCHEMBL13454617 0.88 POLB (0.59) ALDH1A1GAAHPGDKMT2AMEN1
SCHEMBL13454491 0.87 LMNA (0.60) ALDH1A1GAAHPGDKMT2AMEN1
SCHEMBL13454743 0.87 KMT2A (0.66) ALDH1A1GAAHPGDKMT2AMEN1
SCHEMBL18606705 0.85 CA1 (0.69) ALDH1A1GAAHPGDKMT2AMEN1
SCHEMBL13453704 0.85 POLB (0.81) ALDH1A1GAAHPGDKMT2AMEN1
SCHEMBL16358462 0.84 GPR55 (0.67) ALDH1A1KMT2AMEN1GPR55LMNA
SCHEMBL13454745 0.83 POLB (0.56) ALDH1A1GAAHPGDKMT2AMEN1

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 4289/4885GAA 2398/4885HPGD 3422/4885

“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.