SCHEMBL13454747

SCHEMBL13454747

COc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 9/20 0.65
▸ ALDH1A1 P00352 7/20 0.65
▸ CA1 P00915 2/20 0.65
▸ CA2 P00918 2/20 0.65
▸ CA9 Q16790 2/20 0.65
▸ MEN1 O00255 8/20 0.62
▸ ALOX12 P18054 3/20 0.62
▸ TAAR1 Q96RJ0 1/20 0.62
▸ MAPT P10636 5/20 0.62
▸ KDM4E B2RXH2 2/20 0.62
▸ HPGD P15428 2/20 0.60
▸ GAA P10253 1/20 0.60
▸ NPSR1 Q6W5P4 1/20 0.60
▸ HTT P42858 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ PPIA P62937 1/20 0.58
▸ GPR55 Q9Y2T6 2/20 0.58
▸ CYP3A4 P08684 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57

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
SCHEMBL13470114 0.92 ALDH1A1 (0.76) KMT2AALDH1A1CA1CA2CA9
SCHEMBL13454772 0.91 ALOX5 (0.64) KMT2AALDH1A1CA1CA2CA9
SCHEMBL16587382 0.90 MAPT (0.75) KMT2AALDH1A1CA1CA2CA9
SCHEMBL13454748 0.89 ALDH1A1 (0.68) KMT2AALDH1A1CA1CA2CA9
SCHEMBL13454726 0.88 ALDH1A1 (0.70) KMT2AALDH1A1CA1CA2CA9
SCHEMBL13469997 0.87 ALDH1A1 (0.70) KMT2AALDH1A1CA1CA2CA9
SCHEMBL17066578 0.87 GPR55 (0.76) KMT2AALDH1A1CA1CA2CA9
SCHEMBL17066560 0.87 ALDH1A1 (0.70) KMT2AALDH1A1CA1CA2CA9
SCHEMBL13453825 0.87 ALDH1A1 (0.70) KMT2AALDH1A1CA1CA2CA9
SCHEMBL13454380 0.87 KMT2A (0.70) KMT2AALDH1A1CA1CA2CA9

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 1676/4885ALDH1A1 4289/4885CA1 4446/4885

“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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