SCHEMBL903263

SCHEMBL903263

NCCNCC(CCOC(=O)c1ccccc1)CNCCN

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.54
LMNA P02545 1/20 0.47
SCN1A P35498 2/20 0.45
SCN2A Q99250 2/20 0.45
SCN3A Q9NY46 2/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 3/20 0.41
SLC6A3 Q01959 2/20 0.41
HIF1A Q16665 1/20 0.41
SLC6A2 P23975 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PKM P14618 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40

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
SCHEMBL13219284 0.92 LMNA (0.50) TDP1LMNASCN1ASCN2ASCN3A
SCHEMBL903264 0.79 TDP1 (0.49) TDP1LMNAALDH1A1MAPK1SLC6A3
SCHEMBL5547338 0.77 TDP1 (0.62) TDP1LMNAALDH1A1MAPK1SLC6A3
SCHEMBL7292310 0.76 TDP1 (0.78) TDP1LMNAALDH1A1MAPK1SLC6A3
SCHEMBL1449565 0.76 TDP1 (0.70) TDP1LMNAALDH1A1MAPK1SLC6A3
SCHEMBL19991162 0.75 LMNA (0.66) TDP1LMNAALDH1A1MAPK1SLC6A3
SCHEMBL1410185 0.75 TDP1 (0.81) TDP1LMNAALDH1A1MAPK1SLC6A3
SCHEMBL30823716 0.74 TDP1 (0.68) TDP1LMNAALDH1A1MAPK1SLC6A3
Hydrochloric Acid SCHEMBL9114435 0.74 TDP1 (0.68) TDP1LMNAALDH1A1MAPK1SLC6A3
SCHEMBL5155769 0.74 TDP1 (0.68) TDP1LMNASCN1ASCN2ASCN3A

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
EP-1768708-B1 N4 CHELATOR CONJUGATES GE HEALTHCARE LTD (GB) 2017-05-17 EP disclosed
US-20130189186-A1 APOPTOSIS IMAGING AGENTS BASED ON LANTIBIOTIC PEPTIDES GE HEALTHCARE LIMITED (GB) 2013-07-25 US disclosed
US-20130189186-A1 APOPTOSIS IMAGING AGENTS BASED ON LANTIBIOTIC PEPTIDES GE HEALTHCARE LIMITED (GB) 2013-07-25 US disclosed
WO-2012041862-A1 APOPTOSIS IMAGING AGENTS BASED ON LANTIBIOTIC PEPTIDES GE HEALTHCARE LIMITED (GB) 2012-04-05 WO disclosed
US-7767796-B2 N4 chelator conjugates GE HEALTHCARE LIMITED (GB) 2010-08-03 US disclosed
US-20080131368-A1 N4 Chelator Conjugates GE HEALTHCARE LIMITED (GB) 2008-06-05 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-20130189186-A1 APOPTOSIS IMAGING AGENTS BASED ON LANTIBIOTIC PEPTIDES BID, BAD, PEBP1 TDP1 3153/4885LMNA 796/4885SCN1A 4648/4885
US-20080131368-A1 N4 Chelator Conjugates TTK, PIGK, HUNK TDP1 3151/4885LMNA 3431/4885SCN1A 4464/4885

“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.