SCHEMBL12870947

SCHEMBL12870947

CC(C)NC1(c2nc3cc(/C=C/C(=O)O)ccc3n2C)CCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 16/20 0.46
HDAC8 Q9BY41 7/20 0.42
PLA2G4A P47712 1/20 0.38
IDH1 O75874 2/20 0.38
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
IP6K1 Q92551 1/20 0.37
IP6K3 Q96PC2 1/20 0.37
TBK1 Q9UHD2 1/20 0.37
IP6K2 Q9UHH9 1/20 0.37

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
SCHEMBL12870488 0.92 HDAC1 (0.42) HDAC1HDAC8PLA2G4AHDAC3HDAC4
SCHEMBL12870961 0.84 HDAC1 (0.36) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL12870976 0.82 HCRTR1 (0.35) IDH1
SCHEMBL12870909 0.82 IP6K1 (0.41) HDAC1IDH1ALDH1A1GAAHTT
SCHEMBL12871022 0.81 KDM4E (0.31) ALDH1A1GAA
SCHEMBL12871013 0.80 HCRTR1 (0.36) IDH1ALDH1A1GAA
SCHEMBL12870971 0.80 HCRTR1 (0.36) ALDH1A1GAA
SCHEMBL6448113 0.79 CYP1A2 (0.42) HDAC1PLA2G4AALDH1A1GAAHTT
SCHEMBL12871053 0.79 PLA2G4A (0.40) HDAC1HDAC8PLA2G4AHDAC3HDAC4
SCHEMBL12870994 0.78 KDM4E (0.39) HDAC1HDAC8HDAC6ALDH1A1GAA

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 HDAC1 754/4885HDAC8 3106/4885PLA2G4A 2923/4885

“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.