SCHEMBL13454600

SCHEMBL13454600

Cc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)cc1C

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.58
▸ KMT2A Q03164 4/20 0.58
▸ HPGD P15428 2/20 0.58
▸ GAA P10253 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ PKM P14618 1/20 0.55
▸ CA1 P00915 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ CA9 Q16790 1/20 0.53
▸ KDM4E B2RXH2 3/20 0.51
▸ MAPT P10636 3/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ ALOX12 P18054 3/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ THRB P10828 1/20 0.50
▸ GPR55 Q9Y2T6 1/20 0.50
▸ GLA P06280 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL13454619 0.92 CA1 (0.65) ALDH1A1KMT2AHPGDGAAL3MBTL1
SCHEMBL13454601 0.91 ALDH1A1 (0.71) ALDH1A1KMT2AHPGDGAAL3MBTL1
SCHEMBL13454702 0.89 ALDH1A1 (0.61) ALDH1A1KMT2AHPGDGAAL3MBTL1
SCHEMBL13454476 0.88 ALDH1A1 (0.63) ALDH1A1KMT2AHPGDGAAL3MBTL1
SCHEMBL13454585 0.86 GPR55 (0.67) ALDH1A1KMT2AHPGDGAAL3MBTL1
SCHEMBL13454703 0.85 KMT2A (0.56) ALDH1A1KMT2AHPGDGAAL3MBTL1
SCHEMBL13453698 0.85 KMT2A (0.63) ALDH1A1KMT2AHPGDGAAL3MBTL1
SCHEMBL13454772 0.85 ALOX5 (0.64) ALDH1A1KMT2AHPGDGAAL3MBTL1
SCHEMBL13453919 0.84 PKM (0.58) ALDH1A1KMT2AHPGDGAAPKM
SCHEMBL13454635 0.84 ALDH1A1 (0.69) ALDH1A1KMT2AGAAPKMCA1

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 4289/4885KMT2A 1676/4885HPGD 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.

Send feedback