SCHEMBL3019641

SCHEMBL3019641

Cc1oc(-c2cc(CN3CCN(Cc4cc(-c5cc(C(=O)O)c(C)o5)cc(C(=O)O)n4)CCN(Cc4cc(-c5cc(C(=O)O)c(C)o5)cc(C(=O)O)n4)CC3)nc(C(=O)O)c2)cc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
KDM4E B2RXH2 5/20 0.43
HSD17B10 Q99714 4/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPK1 P28482 1/20 0.41
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
TTR P02766 1/20 0.35
APEX1 P27695 1/20 0.34
ALOX15 P16050 1/20 0.34
ENPP2 Q13822 4/20 0.34
PTGER1 P34995 1/20 0.34
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL3021173 0.79 ALDH1A1 (0.38) KDM4EALDH1A1HPGDTP53NPSR1
SCHEMBL3016482 0.78 ALDH1A1 (0.36) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL3021494 0.78 ALDH1A1 (0.36) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL3022303 0.77 NR4A2 (0.38) NPC1KDM4EALDH1A1SMN1; SMN2MAPK1
SCHEMBL25483531 0.75 MAPT (0.37) KDM4EALDH1A1TP53LMNAMAPT
SCHEMBL11303038 0.75 KDM5C (0.38) KDM4EALDH1A1LMNAMAPTTTR
SCHEMBL13214432 0.71 MAPT (0.35) ALDH1A1SMN1; SMN2TP53LMNAMAPT
SCHEMBL20634265 0.71 MCL1 (0.54) KDM4EALDH1A1HPGDLMNAMAPT
SCHEMBL3691760 0.71 MAPT (0.37) KDM4EALDH1A1SMN1; SMN2TP53LMNA
SCHEMBL3019178 0.70 ALDH1A1 (0.31) NPC1RAB9AKDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2195310-B1 LUMINESCENT LANTHANIDE (III) CHELATES, CHELATING AGENTS AND CONJUGATES DERIVED THEREOF WALLAC OY (FI) 2016-06-01 EP disclosed
US-8221719-B2 Luminescent lanthanide (III) chelates, chelating agents and conjugates derived thereof WALLAC OY (FI) 2012-07-17 US disclosed
US-20100204442-A1 Luminescent lanthanide (III) chelates, chelating agents and conjugates derived thereof WALLAC OY (FI) 2010-08-12 US disclosed
EP-2195310-A1 LUMINESCENT LANTHANIDE (III) CHELATES, CHELATING AGENTS AND CONJUGATES DERIVED THEREOF Wallac OY (FI) 2010-06-16 EP disclosed
WO-2009030819-A1 LUMINESCENT LANTHANIDE (III) CHELATES, CHELATING AGENTS AND CONJUGATES DERIVED THEREOF WALLAC OY (FI) 2009-03-12 WO 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-20100204442-A1 Luminescent lanthanide (III) chelates, chelating agents and conjugates derived thereof LNPEP, SLC39A3, LAP3 NPC1 2433/4885RAB9A 3067/4885KDM4E 2737/4885

“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.