SCHEMBL3453847

SCHEMBL3453847

C=CCNN(CC(=O)O)NCC=C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
EYA2 O00167 1/20 0.39
APP P05067 1/20 0.39
ACE P12821 1/20 0.39
TSHR P16473 2/20 0.37
ALOX15 P16050 2/20 0.37
BLM P54132 2/20 0.37
PMP22 Q01453 2/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CHRM2 P08172 1/20 0.37
ADRA2A P08913 1/20 0.37
DRD1 P21728 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
CYP2C19 P33261 1/20 0.37
ADRA1A P35348 1/20 0.37
DRD3 P35462 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL3786123 0.78 TDP1 (0.36) TDP1EYA2APPACETSHR
SCHEMBL27712183 0.77 SMN1; SMN2 (0.35) TDP1EYA2APPACETSHR
SCHEMBL1551330 0.75 TDP1 (0.33) TDP1EYA2APPACETSHR
SCHEMBL8817028 0.75 TDP1 (0.33) TDP1EYA2APPACETSHR
SCHEMBL3435871 0.74 FAAH (0.36) TDP1EYA2APPACETSHR
Hydrochloric Acid SCHEMBL437243 0.74 FAAH (0.33) TDP1EYA2APPACETSHR
SCHEMBL11599011 0.70 ALDH1A1 (0.41) LMNAKDM4EMAPTSMN1; SMN2KMT2A
SCHEMBL7600756 0.68 TDP1 (0.34) TDP1EYA2APPACETSHR
SCHEMBL16654852 0.67
SCHEMBL17049179 0.67 ALDH1A1 (0.35) TDP1TSHRMAPTSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816388-B2 Biotin diaminoderivatives and their conjugates with macrocyclic chelating agents SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2010-10-19 US disclosed
EP-1928508-B1 BIOTIN DIAMINODERIVATIVES AND THEIR CONJUGATES WITH MACROCYCLIC CHELATING AGENTS SIGMA TAU IND FARMACEUTI (IT) 2009-11-11 EP disclosed
US-20080249152-A1 Biotin Diaminoderivatives and Their Conjugates With Macrocyclic Chelating Agents SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-10-09 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-20080249152-A1 Biotin Diaminoderivatives and Their Conjugates With Macrocyclic Chelating Agents BTD, HLCS, SLC19A2 TDP1 2934/4885EYA2 4745/4885APP 4293/4885

“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.