SCHEMBL6139715

SCHEMBL6139715

CCCCCS(=O)(=O)NCCCNC(=O)c1ccc(-c2nn(-c3ccc(C(N)=O)cc3)c3ccccc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
DGAT2 Q96PD7 5/20 0.41
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TLR7 Q9NYK1 2/20 0.38
PTPN1 P18031 1/20 0.38
RXFP1 Q9HBX9 2/20 0.38
MAPK8 P45983 1/20 0.38
CA2 P00918 1/20 0.38
HPGD P15428 1/20 0.38
TP53 P04637 1/20 0.37
BACE1 P56817 1/20 0.37
NAAA Q02083 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL6137351 0.76 RORC (0.50) HPGD
SCHEMBL6136923 0.75 MAPK8 (0.55) MEN1KMT2ANPSR1L3MBTL1MAPK8
SCHEMBL6136970 0.73 HPGD (0.42) MEN1KMT2ADGAT2NPSR1L3MBTL1
SCHEMBL6136968 0.73 SMN1; SMN2 (0.48) MEN1KMT2ADGAT2NPSR1L3MBTL1
SCHEMBL6354434 0.72 DGAT2 (0.40) MEN1KMT2ADGAT2NPSR1L3MBTL1
SCHEMBL6136810 0.72 ALDH1A1 (0.54) MEN1KMT2AHPGD
SCHEMBL5072880 0.67 L3MBTL1 (0.71) MEN1KMT2AL3MBTL1CA2NAAA
SCHEMBL6136884 0.66 RORC (0.66) HPGD
SCHEMBL11224030 0.66 L3MBTL1 (0.73) MEN1KMT2AL3MBTL1CA2NAAA
SCHEMBL11220824 0.66 L3MBTL1 (0.73) MEN1KMT2AL3MBTL1CA2NAAA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050227299-A1 Fluorescent dyes (AIDA) for solid phase and solution phase screening AUER MANFRED 2005-10-13 US disclosed
EP-1140856-B1 FLUORESCENT DYES FOR SOLID PHASE AND SOLUTION PHASE SCREENING NOVARTIS AG (CH) 2005-04-27 EP disclosed
EP-1140856-A1 FLUORESCENT DYES FOR SOLID PHASE AND SOLUTION PHASE SCREENING Novartis AG (CH) 2001-10-10 EP disclosed
US-20010005752-A1 Fluorescent dyes (AIDA) for solid phase and solution phase screening AUER MANFRED (AT) 2001-06-28 US disclosed
US-6207831-B1 A BENZOPYRAZOLE COMPOUND NOVARTIS AG (CH) 2001-03-27 US disclosed
WO-2000037448-A1 FLUORESCENT DYES FOR SOLID PHASE AND SOLUTION PHASE SCREENING NOVARTIS AG (CH) 2000-06-29 WO 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 (2 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-20010005752-A1 Fluorescent dyes (AIDA) for solid phase and solution phase screening SLC43A1, CUTA, ANXA1 MEN1 2066/4885KMT2A 3039/4885DGAT2 3824/4885
US-20050227299-A1 Fluorescent dyes (AIDA) for solid phase and solution phase screening SLCO1A2, ABCG2, SLCO1B1 MEN1 2470/4885KMT2A 1813/4885DGAT2 3016/4885

“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.