SCHEMBL1156500

SCHEMBL1156500

O=C(NCc1ccccc1)c1cc2cc(S(=O)(=O)N3CCCCCC3)ccc2[nH]1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 9/20 0.68
ALDH1A1 P00352 4/20 0.61
MAPT P10636 1/20 0.59
LMNA P02545 1/20 0.58
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
KDM4E B2RXH2 1/20 0.55
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA9 Q16790 1/20 0.55
TP53 P04637 1/20 0.55
THRB P10828 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL10293173 0.90 MAPT (0.57) NAMPTALDH1A1MAPTKDM4ETP53
SCHEMBL16644166 0.89 NAMPT (0.75) NAMPTALDH1A1MAPTMEN1KMT2A
SCHEMBL10293233 0.88 NAMPT (0.54) NAMPTALDH1A1MAPTKDM4E
SCHEMBL10293140 0.88 LMNA (0.61) NAMPTALDH1A1MAPTLMNAMEN1
SCHEMBL24948341 0.86 NAMPT (0.72) NAMPTALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL30877552 0.86 NAMPT (0.72) NAMPTALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL10293122 0.85 NAMPT (0.59) NAMPTALDH1A1MAPTKDM4ETP53
SCHEMBL10293155 0.84 CNR1 (0.59) NAMPTALDH1A1MAPTLMNAKDM4E
SCHEMBL10293210 0.82 NAMPT (0.54) NAMPTALDH1A1MAPTMEN1KMT2A
SCHEMBL12467065 0.81 NAMPT (1.00) NAMPT

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1776106-B1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS VERTEX PHARMA (US) 2013-08-07 EP disclosed
EP-1776106-B1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS VERTEX PHARMA (US) 2013-08-07 EP disclosed
US-8211935-B2 Heterocyclic derivatives for modulation of calcium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-03 US disclosed
US-8211935-B2 Heterocyclic derivatives for modulation of calcium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-03 US disclosed
US-8211935-B2 Heterocyclic derivatives for modulation of calcium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-03 US disclosed
US-20110178061-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-21 US disclosed
US-20110178061-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-21 US disclosed
US-20110178061-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-21 US disclosed
US-7888384-B2 Heterocyclic derivatives for modulation of calcium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-02-15 US disclosed
US-7888384-B2 Heterocyclic derivatives for modulation of calcium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-02-15 US disclosed
US-20090253682-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2009-10-08 US disclosed
US-20090253682-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2009-10-08 US disclosed
US-20090253682-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2009-10-08 US disclosed
US-7569604-B2 Heterocyclic derivatives for modulation of calcium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-08-04 US disclosed
US-7569604-B2 Heterocyclic derivatives for modulation of calcium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-08-04 US disclosed
US-7569604-B2 Heterocyclic derivatives for modulation of calcium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-08-04 US disclosed
EP-1776106-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS Vertex Pharmaceuticals Incorporated (US) 2007-04-25 EP disclosed
US-20060074076-A1 Heterocyclic derivatives for modulation of calcium channels VERTEX PHARMACEUTICALS INCORPORATED 2006-04-06 US disclosed
WO-2006010008-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-01-26 WO disclosed
WO-2006010008-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-01-26 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 (3 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-20090253682-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS CACNA1D, ORAI1, CACNA1C NAMPT 2751/4885ALDH1A1 3826/4885MAPT 1243/4885
US-20110178061-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS CACNA1D, ORAI1, CACNA1C NAMPT 2751/4885ALDH1A1 3826/4885MAPT 1243/4885
US-20060074076-A1 Heterocyclic derivatives for modulation of calcium channels CACNA1D, ORAI1, CACNA1C NAMPT 2751/4885ALDH1A1 3826/4885MAPT 1243/4885

“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.