SCHEMBL13327604

SCHEMBL13327604

O=C1CCN(C(=O)N2CCCC2)CC1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.59
CA2 P00918 1/20 0.48
CHKA P35790 1/20 0.48
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
TP53 P04637 1/20 0.43
USP2 O75604 1/20 0.42
LIPE Q05469 2/20 0.42
HPGD P15428 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
AKR1C3 P42330 1/20 0.40
HTT P42858 1/20 0.40
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD11B1 P28845 1/20 0.38

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
SCHEMBL3315255 0.98 ALDH1A1 (0.64) ALDH1A1CA2CHKAKMT2AMEN1
Ethylene SCHEMBL8381063 0.95 ALDH1A1 (0.54) ALDH1A1CA2CHKAKMT2AMEN1
SCHEMBL3954333 0.81 ALDH1A1 (0.87) ALDH1A1CA2CHKAKMT2AMEN1
SCHEMBL413020 0.81 ALDH1A1 (0.87) ALDH1A1CA2CHKAKMT2AMEN1
SCHEMBL13852061 0.79 NPSR1 (0.50) ALDH1A1LIPEHPGDPOLBNPSR1
SCHEMBL13182622 0.79 MEN1 (0.59) KMT2AMEN1TP53SMN1; SMN2LMNA
SCHEMBL13547376 0.79 TRIM24 (0.43) ALDH1A1KMT2AMEN1TP53LIPE
SCHEMBL3948862 0.78 ALDH1A1 (0.93) ALDH1A1CA2CHKAKMT2AMEN1
SCHEMBL3947407 0.78 ALDH1A1 (0.93) ALDH1A1CA2CHKAKMT2AMEN1
SCHEMBL3948084 0.78 ALDH1A1 (0.93) ALDH1A1CA2CHKAKMT2AMEN1

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 6 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-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
CN-1204327-A Pharmaceutically active quinazoline compounds ASTRA PHARMA PROD (GB) 1999-01-06 CN 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 2379/4885CA2 2430/4885CHKA 1623/4885
US-20130023551-A1 DISPIRO TETRAOXANE COMPOUNDS NR1H3, NR1H2, NR1I2 ALDH1A1 2569/4885CA2 3171/4885CHKA 3267/4885

“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.