SCHEMBL6339014

SCHEMBL6339014

CCCNc1ccc([C](c2ccc(NCCC)cc2)c2ccc(NCCC)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
PRSS1 P07477 8/20 0.44
F2 P00734 2/20 0.42
PRSS2 P07478 2/20 0.42
PRSS3 P35030 2/20 0.42
TMPRSS6 Q8IU80 2/20 0.42
ST14 Q9Y5Y6 2/20 0.42
POLB P06746 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
LMNA P02545 2/20 0.41
HCAR3 P49019 1/20 0.41
CYP1A2 P05177 1/20 0.41
MAOA P21397 1/20 0.41
CNR1 P21554 1/20 0.41
DRD4 P21917 1/20 0.41
ACHE P22303 1/20 0.41
HRH2 P25021 1/20 0.41

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
SCHEMBL1924747 0.85 MAPT (0.57) MAPTIDO1GAA
SCHEMBL82488 0.83 ALDH1A1 (0.49) POLBHDAC3HDAC1HDAC2NCOR2
SCHEMBL14535153 0.81 NPC1 (0.49) MAPTPOLBHDAC3HDAC1HDAC2
SCHEMBL872409 0.81 HCAR3 (0.57) POLBHDAC3HDAC1HDAC2NCOR2
SCHEMBL10694847 0.79 SMN1; SMN2 (0.54) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL3667557 0.79 PRSS1 (0.72) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL1955932 0.79 MAPT (0.53) MAPTPOLBMAPK1SIGMAR1IDO1
SCHEMBL11020309 0.78 MAPT (0.50) MAPTLMNAIDO1GAA
SCHEMBL960116 0.78 CYP3A4 (0.52) MAPTPOLBHDAC3HDAC1HDAC2
SCHEMBL12266946 0.78 KMT2A (0.58) MAPTPOLBHDAC3HDAC1HDAC2

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
US-20050080260-A1 Preparation of prodrugs for selective drug delivery LUMINIDE 2005-04-14 US claimed
US-20050080260-A1 Preparation of prodrugs for selective drug delivery LUMINIDE 2005-04-14 US disclosed
US-6555663-B1 Pharmaceuticals which are activated intracellularly by reaction with cellular electron carriers or free radicals to cause release of a free and active drug molecule MILLS RANDELL LEE (US) 2003-04-29 US disclosed
US-5773592-A COMPRISES A CHEMILUMINESCENT MOIETY, A PHOTOCHROMIC MOIETY AND A BIOLOGICALLY ACTIVE AGENT CAPABLE OF BEING RELEASED MILLS RANDELL LEE (US) 1998-06-30 US disclosed
US-5428163-A Luminides; chemiluminescence; redox system, releasing free drug MILLS RANDELL L (US) 1995-06-27 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-20050080260-A1 Preparation of prodrugs for selective drug delivery APEH, PAH, ALAD MAPT 2279/4885PRSS1 1968/4885F2 2868/4885

“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.