SCHEMBL10293122

SCHEMBL10293122

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

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.59
SMN1; SMN2 Q16637 1/20 0.58
ALDH1A1 P00352 2/20 0.55
MAPT P10636 1/20 0.55
PKM P14618 1/20 0.51
KDM4E B2RXH2 3/20 0.49
GAA P10253 2/20 0.48
ATM Q13315 1/20 0.48
TP53 P04637 3/20 0.48
RAB9A P51151 1/20 0.48
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL10293240 0.88 MEN1 (0.58) NAMPTALDH1A1MAPTKDM4EGAA
SCHEMBL10293210 0.87 NAMPT (0.54) NAMPTALDH1A1MAPTKDM4EGAA
SCHEMBL10293204 0.85 NAMPT (0.52) NAMPTSMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL1156500 0.85 NAMPT (0.68) NAMPTSMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL10293175 0.84 NAMPT (0.47) NAMPTSMN1; SMN2ALDH1A1MAPTGAA
SCHEMBL10293173 0.83 MAPT (0.57) NAMPTALDH1A1MAPTKDM4EGAA
SCHEMBL10293098 0.83 MAPT (0.54) NAMPTALDH1A1MAPTKDM4EGAA
SCHEMBL10293233 0.82 NAMPT (0.54) NAMPTALDH1A1MAPTKDM4ERAB9A
SCHEMBL10293203 0.82 ALDH1A1 (0.58) NAMPTSMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL10293112 0.81 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1KDM4EGAATSHR

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 NAMPT 2751/4885SMN1; SMN2 1935/4885ALDH1A1 3826/4885
US-20110178061-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS CACNA1D, ORAI1, CACNA1C NAMPT 2751/4885SMN1; SMN2 1935/4885ALDH1A1 3826/4885

“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.