SCHEMBL10293178

SCHEMBL10293178

CN(Cc1ccccc1)C(=O)c1cc2cc(S(=O)(=O)N3CCCCCC3)ccc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.60
ALDH1A1 P00352 2/20 0.56
LMNA P02545 1/20 0.56
TP53 P04637 1/20 0.56
MAPT P10636 1/20 0.56
PKM P14618 1/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
HTT P42858 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
RXFP1 Q9HBX9 3/20 0.54
KDM4E B2RXH2 1/20 0.53
GLA P06280 1/20 0.53
GAA P10253 1/20 0.53
HPGD P15428 1/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
CRHBP P24387 2/20 0.51
CRHR2 Q13324 2/20 0.51
USP2 O75604 1/20 0.51

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
SCHEMBL10293151 0.90 ATM (0.57) ATMALDH1A1LMNAHTTNPSR1
SCHEMBL10293102 0.87 CNR1 (0.60) ATMALDH1A1LMNATP53MAPT
SCHEMBL8278430 0.83 TSHR (0.57) ATMALDH1A1LMNATP53MAPT
SCHEMBL10293098 0.82 MAPT (0.54) ATMALDH1A1LMNAMAPTTSHR
SCHEMBL8276726 0.81 KDM4E (0.50) ATMALDH1A1TP53MAPTTSHR
SCHEMBL1156500 0.80 NAMPT (0.68) ALDH1A1LMNATP53MAPTKDM4E
SCHEMBL10261719 0.79 ALDH1A1 (0.67) ALDH1A1LMNATP53MAPTPKM
SCHEMBL10293173 0.78 MAPT (0.57) ALDH1A1TP53MAPTKDM4EGAA
SCHEMBL10293233 0.77 NAMPT (0.54) ALDH1A1MAPTKDM4E
SCHEMBL31060890 0.76 ATM (0.74) ATMALDH1A1MAPTRXFP1KDM4E

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 ATM 4549/4885ALDH1A1 3826/4885LMNA 1753/4885
US-20110178061-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS CACNA1D, ORAI1, CACNA1C ATM 4549/4885ALDH1A1 3826/4885LMNA 1753/4885

“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.