SCHEMBL15401972

SCHEMBL15401972

CCCCCCNc1nc(NC)nc(Nc2cccc(C(=O)O)c2)n1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 4/20 0.60
RHOA P61586 1/20 0.57
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
MEN1 O00255 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
SCN9A Q15858 4/20 0.45
CFTR P13569 1/20 0.45
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
NR1H4 Q96RI1 2/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL15402203 0.86 KCNH3 (0.61) KCNH3NPC1RAB9AHTTSMN1; SMN2
SCHEMBL12432784 0.86 RHOA (0.69) KCNH3RHOANPC1RAB9AMEN1
SCHEMBL15402542 0.82 KCNH3 (0.59) KCNH3KMT2A
SCHEMBL15403837 0.81 KCNH3 (0.57) KCNH3KMT2A
SCHEMBL6330053 0.80 HDAC11 (0.58) HTTHDAC11HDAC8NR1H4
SCHEMBL21940532 0.80 HDAC11 (0.58) HTTHDAC11HDAC8NR1H4
SCHEMBL6330083 0.80 HDAC11 (0.58) HTTHDAC11HDAC8NR1H4
SCHEMBL30012465 0.80 HDAC11 (0.58) HTTHDAC11HDAC8NR1H4
SCHEMBL6332453 0.80 HDAC11 (0.58) HTTHDAC11HDAC8NR1H4
SCHEMBL15403203 0.80 KCNH3 (0.59) KCNH3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9346768-B2 Molecular glasses with functionalizable groups HER MAJESTY THE QUEEN IN RIGHT OF CANADA AS REPRESENTED BY THE MINISTER OF NATIONAL DEFENSE (CA) 2016-05-24 US disclosed
US-9328076-B2 Molecular glasses with functionalizable groups HER MAJESTY IN THE RIGHT OF CANADA AS REPRESENTED BY THE MINISTER OF DEFENSE (CA) 2016-05-03 US disclosed
US-20150232433-A1 Molecular Glasses With Functionalizable Groups HER MAJESTY THE QUEEN IN RIGHT OF CANADA AS REPRESENTED BY THE MINISTER OF NATIONAL DEFENCE (CA) 2015-08-20 US disclosed
US-20140005370-A1 MOLECULAR GLASSES WITH FUNCTIONALIZABLE GROUPS HER MAJESTY THE QUEEN IN RIGHT OF CANADA AS REPRESENTED BY THE MINISTER OF NATIONAL DEFENCE (CA) 2014-01-02 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 (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-20140005370-A1 MOLECULAR GLASSES WITH FUNCTIONALIZABLE GROUPS GNG2, GDI1, F12 KCNH3 172/4885RHOA 51/4885NPC1 3325/4885
US-20150232433-A1 Molecular Glasses With Functionalizable Groups GDI1, GNG2, F12 KCNH3 202/4885RHOA 43/4885NPC1 3113/4885

“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.