SCHEMBL13454703

SCHEMBL13454703

Cc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)c(C)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.56
▸ MAPT P10636 8/20 0.56
▸ MEN1 O00255 7/20 0.56
▸ LMNA P02545 6/20 0.56
▸ HTT P42858 4/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ ALDH1A1 P00352 6/20 0.55
▸ HPGD P15428 5/20 0.55
▸ L3MBTL1 Q9Y468 4/20 0.55
▸ GAA P10253 4/20 0.55
▸ MAPK1 P28482 5/20 0.54
▸ SMN1; SMN2 Q16637 5/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ RECQL P46063 1/20 0.54
▸ CA1 P00915 1/20 0.51
▸ CA2 P00918 1/20 0.51
▸ CA9 Q16790 1/20 0.51
▸ USP2 O75604 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ TSHR P16473 1/20 0.51

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
SCHEMBL13454750 0.92 CA1 (0.61) KMT2AMAPTMEN1LMNAHTT
SCHEMBL13454733 0.92 ALDH1A1 (0.68) KMT2AMAPTMEN1LMNAHTT
SCHEMBL13454368 0.87 MEN1 (0.60) KMT2AMAPTMEN1LMNAHTT
SCHEMBL13454702 0.86 ALDH1A1 (0.61) KMT2AMAPTMEN1LMNAHTT
SCHEMBL13453909 0.85 MEN1 (0.56) KMT2AMAPTMEN1LMNAHTT
SCHEMBL13454476 0.85 ALDH1A1 (0.63) KMT2AMAPTMEN1LMNAALDH1A1
SCHEMBL13454600 0.85 ALDH1A1 (0.58) KMT2AMAPTMEN1TDP1ALDH1A1
SCHEMBL13454765 0.85 ALDH1A1 (0.65) KMT2AMAPTMEN1LMNATDP1
SCHEMBL13454678 0.84 KMT2A (0.61) KMT2AMAPTMEN1LMNAHTT
SCHEMBL17066563 0.84 MEN1 (0.57) KMT2AMAPTMEN1LMNAHTT

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 1676/4885MAPT 781/4885MEN1 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.

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