SCHEMBL4863832

SCHEMBL4863832

Cc1ccc2c(c1)CCCCN2S(=O)(=O)Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.59
TSHR P16473 2/20 0.58
ALDH1A1 P00352 2/20 0.58
MAPT P10636 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
POLB P06746 1/20 0.58
HPGD P15428 1/20 0.47
TP53 P04637 2/20 0.46
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
TNF P01375 1/20 0.43
NOD2 Q9HC29 1/20 0.43
NOD1 Q9Y239 1/20 0.43
HTT P42858 1/20 0.43
NR1H3 Q13133 1/20 0.42

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
SCHEMBL31058519 0.84 KMT2A (0.81) RORCTSHRALDH1A1MAPTMEN1
SCHEMBL4871873 0.81 RORC (0.49) RORCTSHRALDH1A1MAPTMEN1
SCHEMBL4863822 0.76 L3MBTL1 (0.53) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL10066942 0.74 TP53 (0.57) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL10192150 0.74 CYP11B1 (0.56) ALDH1A1MAPTPOLBTP53
SCHEMBL30583041 0.74 MEN1 (1.00) RORCTSHRALDH1A1MAPTMEN1
SCHEMBL28308393 0.72 TSHR (0.65) RORCTSHRALDH1A1MAPTMEN1
SCHEMBL6109903 0.71 HRH3 (0.67) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL10192149 0.70 CYP11B1 (0.47) ALDH1A1MAPTPOLBTP53
SCHEMBL4868725 0.69 RORC (0.45) RORCTSHRALDH1A1MAPTMEN1

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 RORC 494/4885TSHR 261/4885ALDH1A1 3990/4885

“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.