SCHEMBL4432438

SCHEMBL4432438

Cn1c(C2(N)CCC2)nc2cc(C=CC(N)=O)ccc21

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.47
AKT1 P31749 4/20 0.41
AKT2 P31751 3/20 0.41
HDAC8 Q9BY41 3/20 0.41
IDH1 O75874 2/20 0.39
PIM2 Q9P1W9 1/20 0.36

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
SCHEMBL4432433 0.89 HDAC1 (0.46) HDAC1AKT1AKT2HDAC8IDH1
SCHEMBL4432437 0.89 HDAC1 (0.46) HDAC1AKT1AKT2HDAC8IDH1
SCHEMBL974029 0.88 HDAC1 (0.47) HDAC1AKT1AKT2HDAC8IDH1
SCHEMBL974028 0.88 HDAC1 (0.47) HDAC1AKT1AKT2HDAC8IDH1
SCHEMBL12190633 0.85 TTR (0.46) HDAC1HDAC8
SCHEMBL6368019 0.81 HDAC1 (0.41) HDAC1AKT1AKT2HDAC8
SCHEMBL973372 0.79 AKT1 (0.47) HDAC1AKT1AKT2IDH1
SCHEMBL973374 0.79 AKT1 (0.47) HDAC1AKT1AKT2IDH1
SCHEMBL12190763 0.76 TTR (0.46) HDAC1AKT1
SCHEMBL13680346 0.76 TTR (0.46) HDAC1AKT1

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-2626354-A1 Viral polymerase inhibitors Boehringer Ingelheim International GmbH (DE) 2013-08-14 EP disclosed
EP-1718608-B1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2013-07-17 EP disclosed
US-20090170859-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-02 US disclosed
EP-1718608-A1 VIRAL POLYMERASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2006-11-08 EP disclosed
WO-2005080388-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-01 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 (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-20090170859-A1 Viral Polymerase Inhibitors POLR2A, POLR1E, RPP30 HDAC1 1089/4885AKT1 2142/4885AKT2 2791/4885

“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.