SCHEMBL3310703

SCHEMBL3310703

O=C1CCN(C(=O)N(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
POLB P06746 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
KMT2A Q03164 4/20 0.58
SRD5A2 P31213 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.55
AGTR2 P50052 1/20 0.53
TACR1 P25103 1/20 0.52
MEN1 O00255 2/20 0.50
GAA P10253 1/20 0.50
NPSR1 Q6W5P4 1/20 0.45
PKM P14618 1/20 0.43

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
SCHEMBL7467929 0.87 ALDH1A1 (0.77) ALDH1A1POLBSMN1; SMN2KMT2ASRD5A2
SCHEMBL13182624 0.86 ALDH1A1 (0.61) ALDH1A1POLBSMN1; SMN2KMT2ASRD5A2
SCHEMBL11195264 0.83 ALDH1A1 (0.83) ALDH1A1POLBSMN1; SMN2KMT2ASRD5A2
SCHEMBL11661567 0.81 ALDH1A1 (0.87) ALDH1A1POLBSMN1; SMN2KMT2ASRD5A2
SCHEMBL7388960 0.79 ALDH1A1 (0.61) ALDH1A1POLBSMN1; SMN2KMT2ASRD5A2
SCHEMBL10670574 0.79 ALDH1A1 (0.66) ALDH1A1POLBSMN1; SMN2KMT2ASRD5A2
SCHEMBL21311838 0.77 ALDH1A1 (0.69) ALDH1A1POLBSMN1; SMN2KMT2ASRD5A2
SCHEMBL10666586 0.77 ALDH1A1 (0.65) ALDH1A1POLBSMN1; SMN2KMT2AL3MBTL1
SCHEMBL14280331 0.76 ACHE (0.58) ALDH1A1POLBSMN1; SMN2KMT2ASRD5A2
SCHEMBL10672727 0.76 ALDH1A1 (0.57) ALDH1A1POLBSMN1; SMN2KMT2ASRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130023551-A1 DISPIRO TETRAOXANE COMPOUNDS LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2013-01-24 US disclosed
US-20130023551-A1 DISPIRO TETRAOXANE COMPOUNDS LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2013-01-24 US disclosed
US-20130023551-A1 DISPIRO TETRAOXANE COMPOUNDS LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2013-01-24 US disclosed
EP-2233479-A1 DISPIRO TETRAOXANE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MALARIA AND/OR CANCER Liverpool School of Tropical Medicine (GB) 2010-09-29 EP disclosed
US-20100113436-A1 DISPIRO TETRAOXANE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MALARIA AND/OR CANCER LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2010-05-06 US disclosed
US-20100113436-A1 DISPIRO TETRAOXANE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MALARIA AND/OR CANCER LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2010-05-06 US disclosed
US-20100113436-A1 DISPIRO TETRAOXANE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MALARIA AND/OR CANCER LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2010-05-06 US disclosed
WO-2008038030-A2 DISPIRO TETRAOXANE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MALARIA AND/OR CANCER LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2008-04-03 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 (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-20100113436-A1 DISPIRO TETRAOXANE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MALARIA AND/OR CANCER NR1H2, NR1H3, NR1I2 ALDH1A1 2379/4885POLB 2091/4885SMN1; SMN2 2902/4885
US-20130023551-A1 DISPIRO TETRAOXANE COMPOUNDS NR1H3, NR1H2, NR1I2 ALDH1A1 2569/4885POLB 1923/4885SMN1; SMN2 3375/4885

“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.