SCHEMBL4892259

SCHEMBL4892259

CCN(CC)S(=O)(=O)c1ccc2c(c1)N(C(=O)c1cc(Cl)c(OCc3ccccc3)c(Cl)c1)CCO2

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
LMNA P02545 3/20 0.47
HTT P42858 2/20 0.47
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
TP53 P04637 1/20 0.44
NAAA Q02083 2/20 0.41
RXFP1 Q9HBX9 2/20 0.41
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL4899123 0.86 L3MBTL1 (0.46) LMNAKMT2AMEN1TP53NAAA
SCHEMBL4898917 0.84 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2LMNAHTTKMT2A
SCHEMBL4893108 0.82 POLB (0.58) LMNATP53NAAARXFP1
SCHEMBL4901495 0.77 POLB (0.50) ALDH1A1NAAARXFP1
SCHEMBL4891308 0.74 KMT2A (0.45) KMT2AMEN1TP53TDP1
SCHEMBL4895541 0.73 NAAA (0.50) ALDH1A1SMN1; SMN2HTTKMT2AMEN1
SCHEMBL4898960 0.73 NAAA (0.48) ALDH1A1NAAA
SCHEMBL4891020 0.73 POLB (0.52) LMNANAAARXFP1
SCHEMBL4900115 0.73 SLC22A12 (0.44) KMT2AMEN1TDP1
SCHEMBL4902291 0.72 POLB (0.59) LMNAKMT2ATP53RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080305169-A1 Pharmaceutical Compositions Comprising Nitrogen-Containing Fused Ring Coumpounds JAPAN TOBACCO INC. (JP) 2008-12-11 US disclosed
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds JAPAN TOBACCO INC. (JP) 2008-03-13 US disclosed
EP-1820515-A1 NITROGEN-CONTAINING FUSED RING COMPOUND AND USE THEREOF Japan Tobacco, Inc. (JP) 2007-08-22 EP disclosed
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof JAPAN TOBACCO INC. (JP) 2007-01-11 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 (3 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-20080305169-A1 Pharmaceutical Compositions Comprising Nitrogen-Containing Fused Ring Coumpounds NOD1, NLRP3, SLC10A1 ALDH1A1 1306/4885SMN1; SMN2 2914/4885LMNA 2263/4885
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof NUDT1, NOD1, SLC28A1 ALDH1A1 605/4885SMN1; SMN2 4459/4885LMNA 3579/4885
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds NOD1, XDH, URB2 ALDH1A1 1553/4885SMN1; SMN2 3515/4885LMNA 4195/4885

“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.