SCHEMBL5117547

SCHEMBL5117547

COC(=O)c1ccc(C2CCCCC2)c([N+](=O)[O-])n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
NPY1R P25929 1/20 0.40
NPY2R P49146 1/20 0.40
RAB9A P51151 1/20 0.40
HSP90AA1 P07900 1/20 0.40
OPRK1 P41145 2/20 0.38
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SLC6A3 Q01959 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RIPK1 Q13546 1/20 0.35

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
SCHEMBL5113145 0.80 NPSR1 (0.48) KMT2AMEN1ALDH1A1MAPTOPRK1
SCHEMBL14152715 0.77 MAPT (0.43) CNR2KMT2AMEN1MAPTRAB9A
SCHEMBL29189923 0.76 LCK (0.43) KMT2AMEN1ALDH1A1MAPTRAB9A
SCHEMBL31435282 0.75 RBP4 (0.42) CNR2KMT2AMEN1MAPTALOX5AP
SCHEMBL187734 0.74 ALDH1A1 (0.44) HPGDKMT2AALDH1A1MAPTRAB9A
SCHEMBL29150057 0.74 NOTUM (0.40) HPGDKMT2AMEN1MAPTRAB9A
SCHEMBL3901403 0.73 HPGD (0.65) HPGDKMT2AMEN1ALDH1A1MAPT
SCHEMBL5329458 0.72 HSP90AA1 (0.43) HPGDKMT2AMEN1ALDH1A1MAPT
SCHEMBL31435334 0.71 RBP4 (0.43) CNR2HPGDMAPTALOX5APFEN1
SCHEMBL7600886 0.71 HSP90AA1 (0.55) KMT2AALDH1A1MAPTRAB9AHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7439258-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD (CA) 2008-10-21 US disclosed
EP-1301487-B1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM CA LTD (CA) 2006-11-22 EP disclosed
US-6841566-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM, LTD. (CA) 2005-01-11 US disclosed
US-20040224955-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2004-11-11 US disclosed
US-6794404-B2 BENZIMIDAZOLE DERIVATIVES BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2004-09-21 US disclosed
EP-1411928-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2004-04-28 EP disclosed
US-20030236251-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-12-25 US disclosed
US-20030232816-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-12-18 US disclosed
EP-1301487-A2 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-04-16 EP disclosed
WO-2003007945-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-01-30 WO disclosed
US-6479508-B1 INHIBITOR OF RNA DEPENDENT RNA POLYMERASE ACTIVITY OF THE ENZYME NS5B ENCODED BY HEPATITIS C VIRUS FOR TREATMENT AND PREVENTION OF HEPATITIS C INFECTIONS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-11-12 US disclosed
US-6448281-B1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION; TREATMENT OF HEPATITIS C BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-09-10 US disclosed
US-20020065418-A1 Inhibitors of hepatitis C virus replication; treatment of hepatitis C BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-05-30 US disclosed
WO-2002004425-A2 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-01-17 WO 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 (4 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-20030236251-A1 Viral polymerase inhibitors POLR2H, CTDSP1, POLR2E CNR2 1392/4885HPGD 3392/4885KMT2A 3632/4885
US-20030232816-A1 Viral polymerase inhibitors POLR2H, POLR2E, POLM CNR2 1739/4885HPGD 4608/4885KMT2A 3370/4885
US-20020065418-A1 Inhibitors of hepatitis C virus replication; treatment of hepatitis C HAVCR2, HCCS, ZC3HAV1 CNR2 591/4885HPGD 4350/4885KMT2A 4303/4885
US-20040224955-A1 Viral polymerase inhibitors POLR2H, POLR2E, POLM CNR2 1739/4885HPGD 4608/4885KMT2A 3370/4885

“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.