SCHEMBL9972283

SCHEMBL9972283

COc1cc2c(cc1OC)CN(C(C)C(=O)Nc1ccc(S(=O)(=O)Nc3nccs3)cc1)CC2

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.59
KMT2A Q03164 7/20 0.59
ALDH1A1 P00352 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
KDM4E B2RXH2 1/20 0.53
POLB P06746 4/20 0.52
SCN3A Q9NY46 2/20 0.51
PKM P14618 2/20 0.51
MMP2 P08253 1/20 0.51
SCN1A P35498 1/20 0.50
SCN4A P35499 1/20 0.50
SCN5A Q14524 1/20 0.50
SCN9A Q15858 1/20 0.50
SCN2A Q99250 1/20 0.50
SCN8A Q9UQD0 1/20 0.50
SCN10A Q9Y5Y9 1/20 0.50
MAPK1 P28482 1/20 0.50
EGFR P00533 1/20 0.49
KDR P35968 1/20 0.49

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
SCHEMBL9972282 0.87 KMT2A (0.59) MEN1KMT2AALDH1A1TDP1KDM4E
SCHEMBL9972225 0.83 ALDH1A1 (0.65) MEN1KMT2AALDH1A1TDP1KDM4E
SCHEMBL1102128 0.78 GAA (0.63) MEN1KMT2AALDH1A1TDP1KDM4E
SCHEMBL1102124 0.77 MEN1 (0.59) MEN1KMT2AALDH1A1TDP1KDM4E
SCHEMBL1091410 0.75 MEN1 (0.58) MEN1KMT2AALDH1A1TDP1KDM4E
SCHEMBL9972281 0.74 MEN1 (0.58) MEN1KMT2AALDH1A1TDP1KDM4E
SCHEMBL15113465 0.73 MEN1 (0.76) MEN1KMT2AALDH1A1TDP1KDM4E
SCHEMBL1091645 0.73 TDP1 (0.73) MEN1KMT2AALDH1A1TDP1KDM4E
SCHEMBL13651636 0.71 ALDH1A1 (0.84) MEN1KMT2AALDH1A1TDP1KDM4E
SCHEMBL10031619 0.71 ALDH1A1 (0.84) MEN1KMT2AALDH1A1TDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309543-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-13 US disclosed
US-8309543-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-13 US disclosed
US-20120238578-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-20 US disclosed
US-20120238578-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-20 US disclosed
US-8202861-B2 Drugs for various disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-19 US disclosed
US-8202861-B2 Drugs for various disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-19 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 (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-20120238578-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.