SCHEMBL6019634

SCHEMBL6019634

CCN(C#N)C(=O)C(CS(C)(=O)=O)NC(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
HTT P42858 3/20 0.42
POLB P06746 3/20 0.42
ALDH1A1 P00352 3/20 0.41
CTSS P25774 3/20 0.41
CTSB P07858 2/20 0.41
NPSR1 Q6W5P4 3/20 0.41
GAA P10253 4/20 0.41
MAPT P10636 4/20 0.41
LMNA P02545 3/20 0.41
PTGES O14684 1/20 0.41
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA12 O43570 3/20 0.40
CA9 Q16790 3/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
PAX8 Q06710 1/20 0.40

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
SCHEMBL6021732 0.90 ALDH1A1 (0.45) KMT2AMEN1HTTALDH1A1CTSS
SCHEMBL6020406 0.87 MEN1 (0.46) KMT2AMEN1HTTPOLBALDH1A1
SCHEMBL6019637 0.85 CA12 (0.43) KMT2AMEN1HTTPOLBALDH1A1
SCHEMBL6021519 0.85 CTSL (0.46) KMT2AMEN1CTSSCTSBNPC1
SCHEMBL6020927 0.83 FPR2 (0.52) KMT2AMEN1HTTNPSR1NPC1
SCHEMBL6020275 0.83 FPR2 (0.47) KMT2AMEN1HTTNPSR1MAPT
SCHEMBL6019679 0.82 FPR2 (0.47) KMT2AMEN1HTTPOLBALDH1A1
SCHEMBL6023442 0.81 CYP2C9 (0.47) ALDH1A1CTSSCTSBMAPTNPC1
SCHEMBL6020041 0.81 FPR1 (0.49) KMT2AMEN1HTTPOLBCTSS
SCHEMBL6021367 0.80 MCHR1 (0.39) ALDH1A1CTSSCTSBLMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060252813-A1 Apparatus for curing a composite laminate JERINI AG (DE) 2006-11-09 US claimed
EP-1575903-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES Jerini AG (DE) 2005-09-21 EP claimed
WO-2004065353-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES JERINI AG (DE) 2004-08-05 WO claimed
WO-2004056755-A2 COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES JERENI AG (DE) 2004-07-08 WO claimed
EP-1433778-A1 Use of nitriles as rotamase inhibitors Jerini AG (DE) 2004-06-30 EP claimed
EP-1433779-A1 Use of nitriles as inhibitors of non-proteolytic enzymes Jerini AG (DE) 2004-06-30 EP claimed
US-20060252813-A1 Apparatus for curing a composite laminate JERINI AG (DE) 2006-11-09 US disclosed
EP-1575903-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES Jerini AG (DE) 2005-09-21 EP disclosed
WO-2004065353-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES JERINI AG (DE) 2004-08-05 WO disclosed
WO-2004056755-A2 COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES JERENI AG (DE) 2004-07-08 WO disclosed
EP-1433778-A1 Use of nitriles as rotamase inhibitors Jerini AG (DE) 2004-06-30 EP disclosed
EP-1433779-A1 Use of nitriles as inhibitors of non-proteolytic enzymes Jerini AG (DE) 2004-06-30 EP 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-20060252813-A1 Apparatus for curing a composite laminate DHX29, HDHD5, DHRS9 KMT2A 1324/4885MEN1 4215/4885HTT 2859/4885

“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.