SCHEMBL13453703

SCHEMBL13453703

Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)n1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.64
▸ CA2 P00918 2/20 0.64
▸ CA9 Q16790 1/20 0.64
▸ MEN1 O00255 2/20 0.63
▸ KMT2A Q03164 2/20 0.63
▸ ALDH1A1 P00352 3/20 0.62
▸ PCTP Q9UKL6 3/20 0.61
▸ MAPT P10636 3/20 0.61
▸ KDM4E B2RXH2 1/20 0.61
▸ POLB P06746 2/20 0.61
▸ NPSR1 Q6W5P4 1/20 0.61
▸ GAA P10253 1/20 0.56
▸ HPGD P15428 1/20 0.56

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
SCHEMBL13453698 0.92 KMT2A (0.63) MEN1KMT2AALDH1A1PCTPPOLB
SCHEMBL13453699 0.89 ALDH1A1 (0.70) MEN1KMT2AALDH1A1PCTPMAPT
SCHEMBL13453684 0.89 MEN1 (0.69) MEN1KMT2AALDH1A1PCTPMAPT
SCHEMBL17066504 0.88 MEN1 (0.68) MEN1KMT2AALDH1A1PCTPMAPT
SCHEMBL13453621 0.88 MEN1 (0.68) MEN1KMT2AALDH1A1PCTPMAPT
SCHEMBL13453716 0.87 PCTP (0.80) CA1CA2CA9MEN1KMT2A
SCHEMBL13453717 0.87 ALDH1A1 (0.74) MEN1KMT2AALDH1A1PCTPMAPT
SCHEMBL1234491 0.87 ALDH1A1 (0.71) CA1MEN1KMT2AALDH1A1PCTP
SCHEMBL1235823 0.86 ALDH1A1 (0.71) CA1MEN1KMT2AALDH1A1PCTP
SCHEMBL13453694 0.86 PCTP (0.65) MEN1KMT2AALDH1A1PCTPMAPT

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 CA1 4446/4885CA2 3474/4885CA9 4353/4885

“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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