SCHEMBL9939809

SCHEMBL9939809

O=C1[C@@H](N2CCCC2)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.58
ALDH1A1 P00352 4/20 0.52
LMNA P02545 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
KDM4E B2RXH2 2/20 0.52
CYP2C9 P11712 1/20 0.52
EDNRA P25101 1/20 0.52
SLC6A4 P31645 1/20 0.52
ADRA1A P35348 1/20 0.52
PRMT6 Q96LA8 1/20 0.52
SCN9A Q15858 6/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
SCN8A Q9UQD0 2/20 0.47
SCN1A P35498 1/20 0.47
MEN1 O00255 1/20 0.47
SCN5A Q14524 1/20 0.47

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
SCHEMBL9939956 1.00 KMT2A (0.58) KMT2AALDH1A1LMNATDP1KDM4E
SCHEMBL1576667 0.91 KMT2A (0.55) KMT2AALDH1A1LMNATDP1KDM4E
SCHEMBL12710669 0.91 KMT2A (0.55) KMT2AALDH1A1LMNATDP1KDM4E
SCHEMBL1576669 0.91 KMT2A (0.55) KMT2AALDH1A1LMNATDP1KDM4E
SCHEMBL2625908 0.89 KMT2A (0.55) KMT2AALDH1A1LMNATDP1KDM4E
SCHEMBL2626368 0.88 KMT2A (0.52) KMT2AALDH1A1LMNATDP1KDM4E
SCHEMBL2626414 0.88 LMNA (0.56) KMT2AALDH1A1LMNATDP1KDM4E
SCHEMBL2626130 0.88 KMT2A (0.52) KMT2AALDH1A1LMNATDP1KDM4E
SCHEMBL2625950 0.88 KMT2A (0.52) KMT2AALDH1A1LMNATDP1KDM4E
SCHEMBL1576620 0.87 KMT2A (0.51) KMT2AALDH1A1LMNATDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8343763-B2 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-01 US disclosed
US-20120149742-A1 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-14 US disclosed
WO-2010002956-A2 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-01-07 WO 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 (1 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-20120149742-A1 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, KCNN3 KMT2A 2855/4885ALDH1A1 1645/4885LMNA 2366/4885

“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.