SCHEMBL1102114

SCHEMBL1102114

Cc1ccc2c(ccn2C(C)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.61
MEN1 O00255 7/20 0.61
POLB P06746 4/20 0.60
TDP1 Q9NUW8 1/20 0.56
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 1/20 0.56
PPIA P62937 1/20 0.56
SCN3A Q9NY46 2/20 0.53
SCN1A P35498 1/20 0.53
SCN4A P35499 1/20 0.53
SCN5A Q14524 1/20 0.53
SCN9A Q15858 1/20 0.53
SCN2A Q99250 1/20 0.53
SCN8A Q9UQD0 1/20 0.53
SCN10A Q9Y5Y9 1/20 0.53
PKM P14618 2/20 0.51
MAPK1 P28482 1/20 0.50

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
SCHEMBL1091270 0.90 MEN1 (0.60) KMT2AMEN1POLBTDP1ALDH1A1
SCHEMBL1102089 0.90 MEN1 (0.55) KMT2AMEN1POLBTDP1ALDH1A1
SCHEMBL1102265 0.88 KMT2A (0.61) KMT2AMEN1POLBTDP1ALDH1A1
SCHEMBL9972284 0.88 MEN1 (0.56) KMT2AMEN1POLBTDP1ALDH1A1
SCHEMBL1102057 0.85 MEN1 (0.60) KMT2AMEN1POLBTDP1ALDH1A1
SCHEMBL1102135 0.83 ALDH1A1 (0.53) KMT2AMEN1POLBTDP1ALDH1A1
SCHEMBL1102264 0.82 TDP1 (0.56) KMT2AMEN1POLBTDP1ALDH1A1
SCHEMBL12522877 0.82 ALDH1A1 (0.62) KMT2AMEN1POLBTDP1ALDH1A1
SCHEMBL1102100 0.82 MEN1 (0.56) KMT2AMEN1POLBTDP1ALDH1A1
SCHEMBL13404066 0.82 TDP1 (0.55) KMT2AMEN1POLBTDP1ALDH1A1

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 KMT2A 3111/4885MEN1 2329/4885POLB 4241/4885
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels SCNN1G, KCNN3, KCNN2 KMT2A 3111/4885MEN1 2329/4885POLB 4241/4885

“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.