SCHEMBL4892239

SCHEMBL4892239

COC(=O)c1cc(Cl)c(OC)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TPMT P51580 2/20 0.56
MAPT P10636 4/20 0.53
POLB P06746 2/20 0.53
MAPK1 P28482 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 3/20 0.49
VCAM1 P19320 2/20 0.49
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
RAF1 P04049 1/20 0.48
HPGD P15428 1/20 0.48
GFER P55789 1/20 0.48
PAX8 Q06710 1/20 0.48
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL5216905 0.89 TPMT (0.64) TPMTMAPTPOLBMAPK1MEN1
SCHEMBL1191207 0.86 TPMT (0.54) TPMTMAPTPOLBMAPK1MEN1
SCHEMBL1190543 0.86 TPMT (0.70) TPMTMAPTMAPK1MEN1KMT2A
SCHEMBL22081923 0.84 MAPT (0.52) TPMTMAPTPOLBMAPK1MEN1
SCHEMBL30159180 0.84 MAPT (0.52) TPMTMAPTPOLBMAPK1MEN1
SCHEMBL8462586 0.84 TPMT (0.59) TPMTMAPTMAPK1MEN1KMT2A
SCHEMBL30740961 0.84 TPMT (0.59) TPMTMAPTMAPK1MEN1KMT2A
SCHEMBL2809633 0.83 LMNA (0.53) TPMTMAPTPOLBMAPK1MEN1
SCHEMBL752806 0.83 GPR35 (0.54) TPMTMAPTPOLBMAPK1MEN1
SCHEMBL2903036 0.83 MAPT (0.51) TPMTMAPTPOLBMAPK1MEN1

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 TPMT 378/4885MAPT 962/4885POLB 4604/4885
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof NUDT1, NOD1, SLC28A1 TPMT 44/4885MAPT 552/4885POLB 4164/4885
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds NOD1, XDH, URB2 TPMT 147/4885MAPT 1019/4885POLB 4495/4885

“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.