SCHEMBL12705102

SCHEMBL12705102

NCCOCCNC(=O)CN1CCN(CC(=O)NCCOCCN)CCN(CC(=O)NCCOCCN)CCN(CC(=O)NCCOCCN)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
TDP1 Q9NUW8 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 3/20 0.41
SIGMAR1 Q99720 3/20 0.41
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HTT P42858 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
TSHR P16473 2/20 0.35
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 2/20 0.34
CA2 P00918 1/20 0.34
GAA P10253 1/20 0.34
GFER P55789 1/20 0.34

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
SCHEMBL28679451 0.92 ALDH1A1 (0.49) ALDH1A1TDP1SMN1; SMN2KDM4ESIGMAR1
SCHEMBL20610685 0.92 ALDH1A1 (0.46) ALDH1A1TDP1SMN1; SMN2KDM4ESIGMAR1
SCHEMBL18545056 0.91 ALDH1A1 (0.48) ALDH1A1TDP1SMN1; SMN2KDM4ESIGMAR1
SCHEMBL28689713 0.89 SIGMAR1 (0.56) ALDH1A1TDP1SMN1; SMN2KDM4ESIGMAR1
SCHEMBL16749992 0.85 CACNA1H (0.47) ALDH1A1TDP1SMN1; SMN2KDM4ESIGMAR1
SCHEMBL14642368 0.85 ALDH1A1 (0.43) ALDH1A1TDP1SMN1; SMN2KDM4ESIGMAR1
SCHEMBL31165990 0.85 ALDH1A1 (0.43) ALDH1A1TDP1SMN1; SMN2KDM4ESIGMAR1
SCHEMBL26869422 0.85 ALDH1A1 (0.43) ALDH1A1TDP1SMN1; SMN2KDM4ESIGMAR1
SCHEMBL18545131 0.85 CACNA1H (0.47) ALDH1A1TDP1SMN1; SMN2KDM4ESIGMAR1
SCHEMBL16749955 0.85 CACNA1H (0.47) ALDH1A1TDP1SMN1; SMN2KDM4ESIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7919579-B2 Imaging and therapeutic targeting of prostate and bladder tissues THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-04-05 US disclosed
US-20090123381-A1 IMAGING AND THERAPEUTIC TARGETING OF PROSTATE AND BLADDER TISSUES US ARMY, SECRETARY OF THE ARMY 2009-05-14 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-20090123381-A1 IMAGING AND THERAPEUTIC TARGETING OF PROSTATE AND BLADDER TISSUES ADM2, DAB2IP, ARG2 ALDH1A1 2563/4885TDP1 638/4885SMN1; SMN2 870/4885

“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.