SCHEMBL4865026

SCHEMBL4865026

O=C1CCN(S(=O)(=O)Cc2ccccc2)c2ccccc2C1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.76
MAPT P10636 2/20 0.76
MEN1 O00255 2/20 0.76
KMT2A Q03164 2/20 0.76
ALDH1A1 P00352 2/20 0.76
POLB P06746 1/20 0.76
RORC P51449 3/20 0.48
HPGD P15428 1/20 0.44
GLA P06280 1/20 0.43
LMNA P02545 1/20 0.41
PARP1 P09874 1/20 0.40
HTT P42858 1/20 0.39

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
SCHEMBL30583041 0.87 MEN1 (1.00) TSHRMAPTMEN1KMT2AALDH1A1
SCHEMBL31058519 0.80 KMT2A (0.81) TSHRMAPTMEN1KMT2AALDH1A1
SCHEMBL30539319 0.74 ALDH1A1 (0.67) TSHRMAPTMEN1KMT2AALDH1A1
SCHEMBL7251218 0.74 TSHR (0.54) TSHRMAPTMEN1KMT2AALDH1A1
SCHEMBL20598840 0.74 DDB1 (0.50) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL4860774 0.73 MAPT (0.64) TSHRMAPTMEN1KMT2AALDH1A1
SCHEMBL22566225 0.72 MEN1 (0.73) TSHRMAPTMEN1KMT2AALDH1A1
SCHEMBL3912922 0.72 TSHR (0.69) TSHRMAPTMEN1KMT2AALDH1A1
SCHEMBL4813838 0.71 TSHR (0.70) TSHRMAPTMEN1KMT2AALDH1A1
SCHEMBL4865019 0.71 KMT2A (0.51) TSHRMAPTMEN1KMT2AALDH1A1

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-7368444-B2 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-06 US disclosed
US-20050101600-A1 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 US disclosed
EP-1475368-A1 N-CARBAMOYL NITROGEN-CONTAINING FUSED RING COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-11-10 EP 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-20050101600-A1 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient CNR1, CNR2, NPSR1 TSHR 261/4885MAPT 3398/4885MEN1 651/4885

“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.