SCHEMBL5015499

SCHEMBL5015499

O=C(c1ccc([N+](=O)[O-])cc1)N1C=COC(C2=CC=CCC2)=C1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA12 O43570 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
P2RX4 Q99571 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
POLB P06746 1/20 0.34
CES1 P23141 1/20 0.34
ALDH1A1 P00352 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PKM P14618 1/20 0.33
BCHE P06276 1/20 0.33

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
SCHEMBL5012626 0.82 CRBN (0.33) HPGDCA1CA2CA12CA7
SCHEMBL4900291 0.75 TAS1R3 (0.37) HPGDKMT2AMEN1ALDH1A1ATM
SCHEMBL5010854 0.74 RBP4 (0.35) KMT2AMEN1POLBALDH1A1
SCHEMBL4891322 0.74
SCHEMBL4969121 0.71
SCHEMBL4969925 0.71
SCHEMBL4900204 0.70 SLC22A12 (0.38) KMT2AMEN1POLB
SCHEMBL4902300 0.70 KMT2A (0.33) KMT2A
SCHEMBL4970989 0.65 ALDH1A1 (0.37) ALDH1A1
SCHEMBL4892205 0.65 MEN1 (0.30) KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (2 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 HPGD 395/4885CA1 815/4885CA2 323/4885
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof NUDT1, NOD1, SLC28A1 HPGD 958/4885CA1 2618/4885CA2 2932/4885

“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.