SCHEMBL10293200

SCHEMBL10293200

CCN(CC)C(=O)c1cc2cc(S(=O)(=O)N3CCC(C)CC3)ccc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
POLB P06746 1/20 0.54
HSD17B10 Q99714 1/20 0.54
LMNA P02545 1/20 0.51
MCOLN3 Q8TDD5 1/20 0.51
KDM4E B2RXH2 2/20 0.51
HTT P42858 1/20 0.51
CHRM5 P08912 2/20 0.49
RAB9A P51151 1/20 0.48
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL1155933 0.89 MEN1 (0.61) MEN1KMT2APOLBHSD17B10LMNA
SCHEMBL10293098 0.88 MAPT (0.54) MEN1KMT2ALMNAMCOLN3KDM4E
SCHEMBL1156330 0.87 NR2F2 (0.56) MEN1KMT2APOLBMAPTTHRB
SCHEMBL10293242 0.86 MEN1 (0.53) MEN1KMT2APOLBHSD17B10LMNA
SCHEMBL10293240 0.84 MEN1 (0.58) MEN1KMT2APOLBHSD17B10LMNA
SCHEMBL8277436 0.84 KMT2A (0.63) MEN1KMT2APOLBHSD17B10LMNA
SCHEMBL10293151 0.83 ATM (0.57) MEN1KMT2APOLBLMNAMCOLN3
SCHEMBL10293124 0.83 KMT2A (0.61) MEN1KMT2APOLBHSD17B10LMNA
SCHEMBL10293208 0.82 KMT2A (0.60) MEN1KMT2APOLBHSD17B10LMNA
SCHEMBL8277168 0.81 KMT2A (0.59) MEN1KMT2APOLBHSD17B10LMNA

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 MEN1 3121/4885KMT2A 3808/4885POLB 4878/4885
US-20110178061-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS CACNA1D, ORAI1, CACNA1C MEN1 3121/4885KMT2A 3808/4885POLB 4878/4885

“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.