SCHEMBL1173479

SCHEMBL1173479

CCOc1cc([N+](=O)[O-])ccc1/C=C/C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.49
ALDH1A1 P00352 6/20 0.48
GLA P06280 2/20 0.48
KDM4E B2RXH2 5/20 0.46
GAA P10253 2/20 0.46
MAOB P27338 1/20 0.45
TYR P14679 1/20 0.45
PTGS2 P35354 1/20 0.45
RHOA P61586 2/20 0.45
KMT2A Q03164 2/20 0.44
LMNA P02545 4/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
NTSR1 P30989 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL1173486 1.00 PTGES (0.49) PTGESALDH1A1GLAKDM4EGAA
SCHEMBL1173482 1.00 PTGES (0.49) PTGESALDH1A1GLAKDM4EGAA
SCHEMBL10632279 0.90 PTGES (0.52) PTGESALDH1A1GLAKDM4EGAA
SCHEMBL10632277 0.90 PTGES (0.52) PTGESALDH1A1GLAKDM4EGAA
SCHEMBL12190688 0.87 TYR (0.46) ALDH1A1GLAMAOBTYRPTGS2
SCHEMBL1862405 0.87 KMT2A (0.50) ALDH1A1MAOBTYRPTGS2KMT2A
SCHEMBL1862404 0.87 KMT2A (0.50) ALDH1A1MAOBTYRPTGS2KMT2A
SCHEMBL14931946 0.85 ALDH1A1 (0.61) PTGESALDH1A1GLAKDM4ETYR
SCHEMBL7813598 0.85 ALDH1A1 (0.61) PTGESALDH1A1GLAKDM4ETYR
SCHEMBL7813596 0.85 ALDH1A1 (0.61) PTGESALDH1A1GLAKDM4ETYR

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-7888363-B2 1-Cyclopentyl-3-methyl-2-(2-pyridyl)indole-5-amino/thio/carbonyl derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-15 US disclosed
US-20070142380-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 US disclosed
US-7223785-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-29 US disclosed
EP-1587787-A1 VIRAL POLYMERASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2005-10-26 EP disclosed
US-20040171626-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-09-02 US disclosed
WO-2004065367-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-08-05 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 (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-20040171626-A1 Viral polymerase inhibitors POLM, MED1, POLR2H PTGES 4550/4885ALDH1A1 1928/4885GLA 2733/4885
US-20070142380-A1 Viral Polymerase Inhibitors POLM, POLR2H, POLR2A PTGES 3892/4885ALDH1A1 1556/4885GLA 2759/4885

“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.