SCHEMBL4895706

SCHEMBL4895706

O=C(c1cc(Cl)c(O)c(Cl)c1)N1C=COC(C2=C(S(=O)(=O)N3CCCC3)C=CCC2)=C1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.32
MEN1 O00255 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
NPBWR1 P48145 1/20 0.31
MCHR1 Q99705 1/20 0.31
ACLY P53396 1/20 0.31
PKM P14618 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HSD11B1 P28845 1/20 0.31
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
SLC22A12 Q96S37 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
SCHEMBL4900119 0.87
SCHEMBL4902077 0.84 HSD11B1 (0.32) HSD11B1SLC22A12
SCHEMBL4892274 0.84 SLC22A12 (0.32) HSD11B1SLC22A12
SCHEMBL4895666 0.82 SLC22A12 (0.33) SLC22A12
SCHEMBL4901887 0.82 SLC22A12 (0.31) SLC22A12
SCHEMBL4892152 0.82 SLC22A12 (0.31) SLC22A12
SCHEMBL4891079 0.80
SCHEMBL4899297 0.78 ACLY (0.33) ACLYHSD11B1SLC22A12
SCHEMBL4895479 0.74
SCHEMBL4901859 0.74 SLC22A12 (0.32) HSD11B1SLC22A12

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-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds JAPAN TOBACCO INC. (JP) 2008-03-13 US claimed
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof JAPAN TOBACCO INC. (JP) 2007-01-11 US claimed
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 KMT2A 4316/4885MEN1 3222/4885TDP1 2350/4885
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof NUDT1, NOD1, SLC28A1 KMT2A 1508/4885MEN1 3330/4885TDP1 1455/4885
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds NOD1, XDH, URB2 KMT2A 3307/4885MEN1 3543/4885TDP1 3150/4885

“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.