SCHEMBL2801932

SCHEMBL2801932

O=Cc1ccc(S(=O)(=O)Nc2cccnc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.68
▸ MEN1 O00255 1/20 0.68
▸ HTT P42858 4/20 0.63
▸ SMN1; SMN2 Q16637 4/20 0.63
▸ POLB P06746 3/20 0.63
▸ ALDH1A1 P00352 3/20 0.63
▸ LMNA P02545 3/20 0.59
▸ TSHR P16473 6/20 0.58
▸ CYP1A2 P05177 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ GAA P10253 3/20 0.53
▸ KDM4E B2RXH2 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL1094118 0.82 MEN1 (0.73) KMT2AMEN1HTTSMN1; SMN2POLB
SCHEMBL31661903 0.82 MEN1 (0.73) KMT2AMEN1HTTSMN1; SMN2POLB
SCHEMBL10031630 0.81 KMT2A (0.72) KMT2AMEN1HTTSMN1; SMN2POLB
SCHEMBL9209937 0.81 KMT2A (0.72) KMT2AMEN1HTTSMN1; SMN2POLB
SCHEMBL28644956 0.81 KMT2A (1.00) KMT2AMEN1HTTSMN1; SMN2POLB
SCHEMBL8228775 0.81 POLB (0.91) KMT2AMEN1HTTSMN1; SMN2POLB
SCHEMBL9568492 0.81 KMT2A (0.72) KMT2AMEN1HTTSMN1; SMN2POLB
SCHEMBL4289902 0.80 KMT2A (0.69) KMT2AMEN1HTTSMN1; SMN2ALDH1A1
SCHEMBL2801475 0.79 HTT (0.63) KMT2AMEN1HTTSMN1; SMN2POLB
SCHEMBL13232779 0.79 HTT (0.63) KMT2AMEN1HTTSMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100168112-A1 2-Substituted and 4-substituted aryl nitrone compounds RENOVIS, INC. 2010-07-01 — — US disclosed
EP-1753714-A4 2-SUBSTITUTED AND 4-SUBSTITUTED ARYL NITRONE COMPOUDS RENOVIS INC (US) 2007-10-17 — — EP disclosed
EP-1753714-A2 2-SUBSTITUTED AND 4-SUBSTITUTED ARYL NITRONE COMPOUDS Renovis, Inc. (US) 2007-02-21 — — EP disclosed
WO-2005079270-A2 2-SUBSTITUTED AND 4-SUBSTITUTED ARYL NITRONE COMPOUDS RENOVIS, INC. (US) 2005-09-01 — — WO disclosed
US-20050182060-A1 2-Substituted and 4-substituted aryl nitrone compounds RENOVIS, INC. 2005-08-18 — — 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-20100168112-A1 2-Substituted and 4-substituted aryl nitrone compounds CXCR2, CCL5, CCL2 KMT2A 4071/4885MEN1 4882/4885HTT 3520/4885
US-20050182060-A1 2-Substituted and 4-substituted aryl nitrone compounds CXCR2, CCL5, CCL2 KMT2A 4071/4885MEN1 4882/4885HTT 3520/4885

“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.

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