SCHEMBL4893071

SCHEMBL4893071

O=C(c1cc(Br)c(O)c(Br)c1)N1CCOc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.60
SLC22A8 Q8TCC7 1/20 0.60
SLC22A12 Q96S37 1/20 0.60
SMN1; SMN2 Q16637 5/20 0.45
ALDH1A1 P00352 4/20 0.45
MAPT P10636 4/20 0.45
POLB P06746 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
NR3C2 P08235 1/20 0.39
HPGD P15428 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
RAB9A P51151 2/20 0.38
IDE P14735 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL4903461 0.88 SLC22A12 (0.46) SLC22A6SLC22A8SLC22A12SMN1; SMN2ALDH1A1
SCHEMBL4895633 0.81 SLC22A12 (0.65) SLC22A6SLC22A8SLC22A12SMN1; SMN2ALDH1A1
SCHEMBL4895476 0.81 SLC22A12 (0.65) SLC22A6SLC22A8SLC22A12MAPTPOLB
SCHEMBL4902108 0.81 SLC22A6 (0.65) SLC22A6SLC22A8SLC22A12ALDH1A1MAPT
SCHEMBL4898903 0.79 SLC22A12 (0.70) SLC22A6SLC22A8SLC22A12MAPTPOLB
SCHEMBL396467 0.79 NOTUM (0.57) POLBKMT2AMEN1TDP1LMNA
SCHEMBL4901814 0.79 SLC22A12 (0.46) SLC22A6SLC22A8SLC22A12SMN1; SMN2ALDH1A1
SCHEMBL1191031 0.76 SLC22A6 (0.48) SLC22A6SLC22A8SLC22A12ALDH1A1MAPT
Epaminurad SCHEMBL1191165 0.75 SLC22A12 (1.00) SLC22A6SLC22A8SLC22A12POLBKMT2A
SCHEMBL5015497 0.75 POLB (0.68) SMN1; SMN2ALDH1A1MAPTPOLBKMT2A

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 10 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
EP-1820515-A1 NITROGEN-CONTAINING FUSED RING COMPOUND AND USE THEREOF Japan Tobacco, Inc. (JP) 2007-08-22 EP 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-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
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
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 SLC22A6 521/4885SLC22A8 216/4885SLC22A12 446/4885
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof NUDT1, NOD1, SLC28A1 SLC22A6 375/4885SLC22A8 222/4885SLC22A12 260/4885
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds NOD1, XDH, URB2 SLC22A6 285/4885SLC22A8 354/4885SLC22A12 371/4885

“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.