SCHEMBL2741700

SCHEMBL2741700

COc1ccc(-c2cc3ccc(OC)cc3n2S(=O)(=O)c2ccccc2)c([N+](C)=O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
HTR6 P50406 10/20 0.48
POLB P06746 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CA2 P00918 2/20 0.40
HTR2A P28223 1/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
ACLY P53396 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CXCL8 P10145 1/20 0.39
NOD1 Q9Y239 1/20 0.39
FABP4 P15090 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38

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
SCHEMBL225970 0.91 MEN1 (0.49) MEN1KMT2AHTR6POLBL3MBTL1
SCHEMBL16638211 0.78 HTR6 (0.51) MEN1KMT2AHTR6POLBL3MBTL1
SCHEMBL7061811 0.76 HTR6 (0.48) MEN1KMT2AHTR6POLBL3MBTL1
SCHEMBL20937286 0.74 MEN1 (0.57) MEN1KMT2AHTR6POLBL3MBTL1
SCHEMBL30276240 0.74 MEN1 (0.57) MEN1KMT2AHTR6POLBL3MBTL1
SCHEMBL3561484 0.72 ACLY (0.65) MEN1KMT2AHTR6POLBL3MBTL1
SCHEMBL6860540 0.72 HTR6 (0.50) MEN1KMT2AHTR6POLBL3MBTL1
Lithium Ion SCHEMBL10345584 0.71 MEN1 (0.54) MEN1KMT2AHTR6POLBL3MBTL1
SCHEMBL6860277 0.71 RECQL (0.58) MEN1KMT2AHTR6POLBL3MBTL1
SCHEMBL6866893 0.71 ALDH1A1 (0.58) MEN1KMT2AHTR6POLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399520-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-03-19 US disclosed
US-20120004315-A1 Selective Estrogen Receptor Modulator RADIUS HEALTH, INC. 2012-01-05 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-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 MEN1 2539/4885KMT2A 455/4885HTR6 1474/4885

“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.