SCHEMBL1102131

SCHEMBL1102131

CC1Cc2ccccc2N1CCC(=O)Nc1ccc(S(=O)(=O)Nc2ncns2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
TDP1 Q9NUW8 1/20 0.53
LMNA P02545 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
POLB P06746 2/20 0.45
SCN9A Q15858 6/20 0.43
PKM P14618 1/20 0.42
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 1/20 0.40
GFER P55789 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL9972275 0.86 PKM (0.59) MAPTTDP1LMNAPOLBPKM
SCHEMBL1102115 0.82 CHRM2 (0.52) MAPTTDP1LMNAL3MBTL1POLB
SCHEMBL1102137 0.80 CHRM2 (0.60) MAPTSCN9AALDH1A1MEN1KMT2A
SCHEMBL1091667 0.78 TDP1 (0.65) MAPTTDP1LMNAL3MBTL1POLB
SCHEMBL1102024 0.75 MEN1 (0.64) MAPTTDP1LMNAL3MBTL1POLB
SCHEMBL1102023 0.73 KMT2A (0.57) MAPTLMNAL3MBTL1POLBALDH1A1
SCHEMBL1102069 0.72 SCN3A (0.55) LMNASCN9ASMN1; SMN2MEN1KMT2A
SCHEMBL1102066 0.72 PRMT1 (0.54) MAPTTDP1LMNAL3MBTL1POLB
SCHEMBL1102021 0.72 PKM (0.42) MAPTLMNASCN9APKMALDH1A1
SCHEMBL13403975 0.72 MEN1 (0.44) MAPTTDP1LMNAPOLBSCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153655-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-10 US disclosed
US-8153655-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-10 US disclosed
US-20100087479-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-08 US disclosed
US-20100087479-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-08 US disclosed
US-7615563-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2009-11-10 US disclosed
US-7615563-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2009-11-10 US disclosed
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2006-02-02 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-20100087479-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels SCNN1G, KCNN3, KCNN2 MAPT 1883/4885TDP1 2356/4885LMNA 1374/4885
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels SCNN1G, KCNN3, KCNN2 MAPT 1883/4885TDP1 2356/4885LMNA 1374/4885

“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.