SCHEMBL1980741

SCHEMBL1980741

CN(CCCCCNC(=O)O)S(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
NPY5R Q15761 4/20 0.46
VCAM1 P19320 2/20 0.46
F13A1 P00488 2/20 0.44
TGM1 P22735 2/20 0.44
THRB P10828 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
F2 P00734 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL1980743 1.00 MEN1 (0.56) MEN1KMT2ANPY5RVCAM1F13A1
SCHEMBL16372574 0.86 MEN1 (0.48) MEN1KMT2ANPY5RVCAM1F13A1
SCHEMBL15570021 0.84 MEN1 (0.53) MEN1KMT2ATHRBCA1CA2
SCHEMBL15570023 0.84 MEN1 (0.53) MEN1KMT2ATHRBCA1CA2
SCHEMBL1955471 0.82 KMT2A (0.59) MEN1KMT2AVCAM1F13A1TGM1
SCHEMBL1955468 0.82 KMT2A (0.59) MEN1KMT2AVCAM1F13A1TGM1
SCHEMBL1652853 0.82 KMT2A (0.61) MEN1KMT2AVCAM1F13A1TGM1
SCHEMBL27816041 0.80 KMT2A (0.63) MEN1KMT2AVCAM1THRBCA1
SCHEMBL7007042 0.80 NPY5R (0.67) MEN1KMT2ANPY5RF13A1TGM1
SCHEMBL1983511 0.80 NPY5R (0.67) MEN1KMT2ANPY5RF13A1TGM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2331554-B1 MACROCYCLIC INDOLE DERIVATIVES USEFUL AS HEPATITIS C VIRUS INHIBITORS JANSSEN R & D IRELAND (IE) 2013-03-06 EP disclosed
US-8357687-B2 Macrocyclic indole derivatives useful as hepatitis C virus inhibitors TIBOTEC PHARMACEUTICALS (IE) 2013-01-22 US disclosed
US-20110152279-A1 MACROCYCLIC INDOLE DERIVATIVES USEFUL AS HEPATITIS C VIRUS INHIBITORS TIBOTEC PHARMACEUTICALS (IE) 2011-06-23 US disclosed
WO-2010018233-A1 MACROCYCLIC INDOLE DERIVATIVES USEFUL AS HEPATITIS C VIRUS INHIBITORS TIBOTEC PHARMACEUTICALS (IE) 2010-02-18 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 (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-20110152279-A1 MACROCYCLIC INDOLE DERIVATIVES USEFUL AS HEPATITIS C VIRUS INHIBITORS IDO1, IDO2, ZC3HAV1 MEN1 3151/4885KMT2A 2256/4885NPY5R 356/4885

“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.