SCHEMBL1102271

SCHEMBL1102271

O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)Nc1ccc2cccnc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.60
KMT2A Q03164 6/20 0.60
ALDH1A1 P00352 4/20 0.59
MAPT P10636 3/20 0.59
CA12 O43570 2/20 0.57
CA2 P00918 2/20 0.57
CA9 Q16790 2/20 0.57
NAMPT P43490 1/20 0.57
SCN3A Q9NY46 2/20 0.56
SCN1A P35498 1/20 0.56
SCN4A P35499 1/20 0.56
SCN5A Q14524 1/20 0.56
SCN9A Q15858 1/20 0.56
SCN2A Q99250 1/20 0.56
SCN8A Q9UQD0 1/20 0.56
SCN10A Q9Y5Y9 1/20 0.56
CYP3A4 P08684 1/20 0.56
PTGS1 P23219 1/20 0.56
CA1 P00915 1/20 0.55
POLB P06746 1/20 0.55

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
SCHEMBL1102026 0.92 NAMPT (0.63) MEN1KMT2AALDH1A1MAPTCA12
SCHEMBL15113555 0.85 KMT2A (0.60) MEN1KMT2AALDH1A1MAPTCA12
SCHEMBL9974099 0.84 MEN1 (0.62) MEN1KMT2AALDH1A1MAPTSCN3A
SCHEMBL1090862 0.82 TDP1 (0.61) MEN1KMT2AALDH1A1MAPTCA12
SCHEMBL15113558 0.82 MEN1 (0.59) MEN1KMT2AALDH1A1MAPTCA12
SCHEMBL15116282 0.82 MEN1 (0.66) MEN1KMT2AALDH1A1MAPTCYP3A4
SCHEMBL15113552 0.82 CA12 (0.58) MEN1KMT2AALDH1A1MAPTCA12
SCHEMBL9974106 0.81 MEN1 (0.61) MEN1KMT2AALDH1A1MAPTSCN3A
SCHEMBL15116294 0.80 MEN1 (0.60) MEN1KMT2AALDH1A1MAPTCA12
SCHEMBL15113287 0.79 MEN1 (0.68) MEN1KMT2AALDH1A1MAPTSCN3A

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 MEN1 2329/4885KMT2A 3111/4885ALDH1A1 2811/4885
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels SCNN1G, KCNN3, KCNN2 MEN1 2329/4885KMT2A 3111/4885ALDH1A1 2811/4885

“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.