SCHEMBL8913803

SCHEMBL8913803

CC(=O)NCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
SMN1; SMN2 Q16637 2/20 0.53
NPSR1 Q6W5P4 1/20 0.47
SIGMAR1 Q99720 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
TSHR P16473 2/20 0.41
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ADRA1A P35348 1/20 0.39
MDM2 Q00987 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
SCHEMBL7128542 0.91 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2SIGMAR1TDP1TSHR
SCHEMBL19088200 0.86 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2SIGMAR1TDP1TSHR
SCHEMBL26207612 0.86 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2SIGMAR1TDP1TSHR
SCHEMBL14403436 0.86 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2SIGMAR1TDP1TSHR
SCHEMBL15834506 0.84 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2SIGMAR1TDP1MEN1
SCHEMBL9097900 0.84 NPSR1 (0.48) ALDH1A1NPSR1CYP2C19HSD17B10KDM4E
SCHEMBL18118428 0.84 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2SIGMAR1TDP1MEN1
SCHEMBL7686018 0.83 NPSR1 (0.44) ALDH1A1SMN1; SMN2NPSR1TSHRHSD17B10
SCHEMBL16731669 0.81 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2SIGMAR1TDP1TSHR
SCHEMBL7131820 0.81 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2SIGMAR1TDP1HSD17B10

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-20170189568-A1 UREA-BASED PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA) INHIBITORS FOR IMAGING AND THERAPY FIVE ELEVEN PHARMA INC. 2017-07-06 US disclosed
US-20170022224-A1 HBED-Bisphosphonates, Radiometal Conjugates and Their Use as Theranostic Agents FIVE ELEVEN PHARMA INC. (US) 2017-01-26 US disclosed
WO-2017007790-A1 HBED-BISPHOSPHONATES, RADIOMETAL CONJUGATES THEREOF AND THEIR USE AS THERANOSTIC AGENTS FIVE ELEVEN PHARMA INC. (US) 2017-01-12 WO disclosed
US-5679810-A AMIDE OR ESTER LINKAGES; COMPLEXES PARAMAGNETIC METAL IONS; DIAGNOSTIC IMAGING SALUTAR, INC. (US) 1997-10-21 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-20170189568-A1 UREA-BASED PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA) INHIBITORS FOR IMAGING AND THERAPY KLK3, FOLH1, UTS2R ALDH1A1 1860/4885SMN1; SMN2 4514/4885NPSR1 1589/4885
US-20170022224-A1 HBED-Bisphosphonates, Radiometal Conjugates and Their Use as Theranostic Agents SLC10A1, SLC9B2, SLCO2B1 ALDH1A1 1794/4885SMN1; SMN2 3463/4885NPSR1 439/4885

“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.