SCHEMBL10293173

SCHEMBL10293173

O=C(NCCc1ccccc1)c1cc2cc(S(=O)(=O)N3CCCCCC3)ccc2[nH]1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.57
KDM4E B2RXH2 1/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
NAMPT P43490 3/20 0.56
CNR1 P21554 2/20 0.56
ALDH1A1 P00352 2/20 0.55
GAA P10253 1/20 0.55
TP53 P04637 1/20 0.53

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
SCHEMBL10293233 0.94 NAMPT (0.54) MAPTKDM4ENPC1RAB9ANAMPT
SCHEMBL1156500 0.90 NAMPT (0.68) MAPTKDM4ENAMPTALDH1A1TP53
SCHEMBL8276799 0.89 NPC1 (0.56) MAPTKDM4ENPC1RAB9ANAMPT
SCHEMBL10293115 0.85 CNR1 (0.60) MAPTKDM4ENPC1RAB9ANAMPT
SCHEMBL10293122 0.83 NAMPT (0.59) MAPTKDM4ERAB9ANAMPTALDH1A1
SCHEMBL8276748 0.83 LMNA (0.51) MAPTKDM4ENPC1RAB9ANAMPT
SCHEMBL8311209 0.80 BACE1 (0.66) MAPTKDM4EALDH1A1TP53
SCHEMBL8312029 0.80 BACE1 (0.66) MAPTKDM4EALDH1A1TP53
SCHEMBL10293210 0.80 NAMPT (0.54) MAPTKDM4ENPC1RAB9ANAMPT
SCHEMBL10293246 0.80 CNR1 (0.54) MAPTKDM4ENPC1RAB9ANAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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

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-20090253682-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS CACNA1D, ORAI1, CACNA1C MAPT 1243/4885KDM4E 3067/4885NPC1 1567/4885
US-20110178061-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS CACNA1D, ORAI1, CACNA1C MAPT 1243/4885KDM4E 3067/4885NPC1 1567/4885

“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.