SCHEMBL15020752

SCHEMBL15020752

Cc1c(Oc2ccccc2)c(=O)ccn1CCN(CCN)CCN

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
NPC1 O15118 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
LCK P06239 1/20 0.36
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
CYP2D6 P10635 1/20 0.34
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
APP P05067 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL15020751 0.83 HTT (0.64) HTTSMN1; SMN2HPGDMEN1KMT2A
SCHEMBL8122829 0.69 HTT (0.73) HTTSMN1; SMN2HPGDMEN1KMT2A
SCHEMBL12944429 0.68 MEN1 (0.70) HTTSMN1; SMN2HPGDMEN1KMT2A
SCHEMBL13003556 0.63 HTT (0.77) HTTSMN1; SMN2HPGDMEN1KMT2A
SCHEMBL3357703 0.62 HTT (0.73) HTTSMN1; SMN2HPGDMEN1KMT2A
SCHEMBL3358414 0.61 HTT (0.71) HTTSMN1; SMN2HPGDMEN1KMT2A
SCHEMBL3354717 0.61 HTT (0.71) HTTSMN1; SMN2HPGDMEN1KMT2A
SCHEMBL20382958 0.61 HTT (0.71) HTTSMN1; SMN2HPGDMEN1KMT2A
SCHEMBL8106191 0.60 HTT (0.70) HTTSMN1; SMN2HPGDMEN1KMT2A
SCHEMBL30982746 0.59 MEN1 (0.68) HTTSMN1; SMN2HPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130157375-A1 COMPOUND LONDON SCHOOL OF HYGIENE AND TROPICAL MEDICINE (GB) 2013-06-20 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-20130157375-A1 COMPOUND TFRC, FTH1, SLC40A1 HTT 1218/4885SMN1; SMN2 2874/4885HPGD 3946/4885

“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.