SCHEMBL12870971

SCHEMBL12870971

COc1cc2nc(C3(NC(C)C)CCC3)n(C)c2cc1/C=C/C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.36
HCRTR2 O43614 3/20 0.36
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 4/20 0.36
GAA P10253 1/20 0.36
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
NFE2L2 Q16236 1/20 0.33
ITGB3 P05106 2/20 0.32
ITGAV P06756 2/20 0.32
ITGA2B P08514 2/20 0.32
HPGD P15428 2/20 0.32

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
SCHEMBL12871013 0.96 HCRTR1 (0.36) HCRTR1HCRTR2ALDH1A1KDM4EGAA
SCHEMBL12870994 0.90 KDM4E (0.39) HCRTR1HCRTR2ALDH1A1KDM4EGAA
SCHEMBL12870976 0.87 HCRTR1 (0.35) HCRTR1HCRTR2MEN1MAPTKMT2A
SCHEMBL12871004 0.86 HCRTR1 (0.36) HCRTR1HCRTR2
SCHEMBL12871022 0.83 KDM4E (0.31) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL12870488 0.82 HDAC1 (0.42) ALDH1A1KDM4EGAACA12CA1
SCHEMBL12870947 0.80 HDAC1 (0.46) ALDH1A1GAA
SCHEMBL14532958 0.77 KDM4E (0.39) HCRTR1HCRTR2ALDH1A1KDM4EGAA
SCHEMBL12870909 0.77 IP6K1 (0.41) ALDH1A1KDM4EGAACA12CA1
SCHEMBL14533061 0.74 KDM4E (0.39) HCRTR1HCRTR2ALDH1A1KDM4EGAA

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20070142380-A1 Viral Polymerase Inhibitors POLM, POLR2H, POLR2A HCRTR1 3215/4885HCRTR2 4027/4885ALDH1A1 1556/4885

“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.