SCHEMBL10040085

SCHEMBL10040085

C=C(O[Si](C(C)C)(C(C)C)C(C)C)c1nc(C)cn1S(=O)(=O)N(C)C

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL10040086 0.74 KDM4E (0.36) KDM4EGAAMEN1KMT2ANPSR1
SCHEMBL12178905 0.65 SMN1; SMN2 (0.37) KDM4EGAAMEN1KMT2ANPSR1
SCHEMBL12178890 0.63 KDM4E (0.37) KDM4EGAAMEN1KMT2ANPSR1
SCHEMBL12178322 0.62 SMN1; SMN2 (0.40) KDM4EGAAMEN1KMT2ANPSR1
SCHEMBL14151520 0.61 KDM4E (0.33) KDM4EGAAMEN1KMT2ANPSR1
SCHEMBL9958507 0.59 GAA (0.35) KDM4EGAANPSR1
SCHEMBL27945121 0.58 TSHR (0.32) KDM4EGAAMEN1KMT2ANPSR1
SCHEMBL14903885 0.57 SMN1; SMN2 (0.37) KDM4EGAAMEN1KMT2ANPSR1
SCHEMBL14151742 0.56 SORD (0.33) KDM4EGAA
SCHEMBL20797472 0.56 KDM4E (0.36) KDM4EGAAMEN1KMT2ANPSR1

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-20130005775-A1 METHODS OF TREATING ULCERATIVE COLITIS LEXICON PHARMACEUTICALS, INC. (US) 2013-01-03 US disclosed
US-8093267-B2 Methods of treating rheumatoid arthritis LEXICON PHARMACEUTICALS, INC. (US) 2012-01-10 US disclosed
US-20100113530-A1 S1P LYASE INHIBITORS FOR THE TREATMENT OF CEREBRAL MALARIA LEXICON PHARMACEUTICALS, INC. 2010-05-06 US disclosed
US-20100076030-A1 METHODS OF TREATING RHEUMATOID ARTHRITIS LEXICON PHARMACEUTICALS, INC. (US) 2010-03-25 US disclosed
US-7649098-B2 Imidazole-based compounds, compositions comprising them and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2010-01-19 US disclosed
US-20070208063-A1 Imidazole-based compounds, compositions comprising them and methods of their use OXFORD FINANCE LLC, AS COLLATERAL AGENT 2007-09-06 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 (4 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-20100113530-A1 S1P LYASE INHIBITORS FOR THE TREATMENT OF CEREBRAL MALARIA S1PR1, S1PR2, SPHK1 KDM4E 1565/4885GAA 1095/4885MEN1 2252/4885
US-20070208063-A1 Imidazole-based compounds, compositions comprising them and methods of their use TPMT, INMT, NFKBIA KDM4E 2146/4885GAA 877/4885MEN1 1419/4885
US-20100076030-A1 METHODS OF TREATING RHEUMATOID ARTHRITIS SSB, NFKBIA, MPO KDM4E 3130/4885GAA 1053/4885MEN1 4596/4885
US-20130005775-A1 METHODS OF TREATING ULCERATIVE COLITIS SI, S1PR2, SPHK2 KDM4E 1186/4885GAA 895/4885MEN1 4464/4885

“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.