SCHEMBL1275294

SCHEMBL1275294

CNS(=O)(=O)CCc1ccc(N)c(I)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
HTR1A P08908 2/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
PTGS2 P35354 1/20 0.35
PTGES2 Q9H7Z7 7/20 0.35
RECQL P46063 1/20 0.34
MMP8 P22894 3/20 0.33
MMP12 P39900 3/20 0.33
MMP13 P45452 3/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL12936109 0.85 CA1 (0.39) CA12CA1CA2CA4CA6
SCHEMBL4347849 0.84 CA1 (0.43) CA12CA1CA2CA4CA6
SCHEMBL15292050 0.83 SKP2 (0.51) HTR1AHTR1DHTR1BPTGS2PTGES2
SCHEMBL4186859 0.81 CA12 (0.42) CA12CA1CA2CA4CA6
SCHEMBL12017198 0.81 CYP3A4 (0.53) CA12CA1CA2CA4CA6
SCHEMBL1275321 0.76 RECQL (0.58) CA12CA1CA2CA6CA5A
SCHEMBL1276240 0.76 CA1 (0.51) CA1CA2CA9HTR1AHTR1D
Hydrochloric Acid SCHEMBL4731092 0.75 RECQL (0.61) CA12CA1CA2CA6CA5A
SCHEMBL1275279 0.74 MAPT (0.40) CA12CA1CA2CA6CA5A
SCHEMBL1852602 0.73 CA2 (0.48) CA12CA1CA2CA4CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735589-B2 Process for the synthesis of naratriptan CIPLA LIMITED (IN) 2014-05-27 US disclosed
US-8735589-B2 Process for the synthesis of naratriptan CIPLA LIMITED (IN) 2014-05-27 US disclosed
US-8735589-B2 Process for the synthesis of naratriptan CIPLA LIMITED (IN) 2014-05-27 US disclosed
EP-2467373-B1 A PROCESS FOR THE SYNTHESIS OF NARATRIPTAN CIPLA LTD (IN) 2013-10-02 EP disclosed
EP-2467373-B1 A PROCESS FOR THE SYNTHESIS OF NARATRIPTAN CIPLA LTD (IN) 2013-10-02 EP disclosed
US-20120220778-A1 Process for the synthesis of naratriptan CIPLA LIMITED (IN) 2012-08-30 US disclosed
US-20120220778-A1 Process for the synthesis of naratriptan CIPLA LIMITED (IN) 2012-08-30 US disclosed
US-20120220778-A1 Process for the synthesis of naratriptan CIPLA LIMITED (IN) 2012-08-30 US disclosed
EP-2467373-A2 A PROCESS FOR THE SYNTHESIS OF NARATRIPTAN Cipla Limited (IN) 2012-06-27 EP disclosed
WO-2011021000-A2 A PROCESS FOR THE SYNTHESIS OF NARATRIPTAN CIPLA LIMITED (IN) 2011-02-24 WO disclosed
WO-2011021000-A2 A PROCESS FOR THE SYNTHESIS OF NARATRIPTAN CIPLA LIMITED (IN) 2011-02-24 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-20120220778-A1 Process for the synthesis of naratriptan ZFR, SPR, NPSR1 CA12 1233/4885CA1 1104/4885CA2 1005/4885

“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.