SCHEMBL3759151

SCHEMBL3759151

CCOC(=O)CCCN1CCOc2ccc(O)cc21

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
HTT P42858 2/20 0.43
ALDH1A1 P00352 2/20 0.43
TNF P01375 3/20 0.41
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39
USP2 O75604 1/20 0.39
REN P00797 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 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
SCHEMBL25395368 0.87 MAPT (0.46) MAPTHTTALDH1A1TNFLMNA
SCHEMBL25396424 0.83 KMT2A (0.40) MAPTHTTALDH1A1LMNARAB9A
SCHEMBL5939919 0.81 MAPT (0.49) MAPTALDH1A1LMNATHRBKMT2A
SCHEMBL25394336 0.80 NOTUM (0.47) MAPTTNFRENL3MBTL1KMT2A
SCHEMBL4256753 0.79 HTT (0.58) MAPTHTTTHRBTP53USP2
SCHEMBL5710197 0.78 REN (0.54) MAPTALDH1A1LMNATHRBREN
SCHEMBL6684778 0.78 CHRM2 (0.52) TNFREN
SCHEMBL5940159 0.78 MAPT (0.39) MAPTHTTALDH1A1TNFLMNA
SCHEMBL23455573 0.77 MAPT (0.45) MAPTHTTALDH1A1LMNARAB9A
SCHEMBL3765131 0.76 PTGER3 (0.46) ALDH1A1LMNATP53KMT2A

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
US-8679776-B2 Activatable dyes UNIVERSITY OF MASSACHUSETTS (US) 2014-03-25 US disclosed
US-20100297684-A1 ACTIVATIBLE DYES UNIVERSITY OF MASSACHUSETTS 2010-11-25 US disclosed
US-20070031336-A1 3H-phenoxazine derivatives suitable as near-infrared imaging agents, preparation an use thereof NOVARTIS AG (CH) 2007-02-08 US disclosed
EP-1658294-B1 3H-PHENOXAZINE DERIVATIVES SUITABLE AS NEAR-INFRARED IMAGING AGENTS, PREPARATION AN USE THEREOF NOVARTIS AG (CH) 2007-01-10 EP disclosed
EP-1658294-A1 3H-PHENOXAZINE DERIVATIVES SUITABLE AS NEAR-INFRARED IMAGING AGENTS, PREPARATION AN USE THEREOF Novartis AG (CH) 2006-05-24 EP disclosed
WO-2005016934-A1 3H-PHENOXAZINE DERIVATIVES SUITABLE AS NEAR-INFRARED IMAGING AGENTS, PREPARATION AN USE THEREOF NOVARTIS AG (CH) 2005-02-24 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 (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-20100297684-A1 ACTIVATIBLE DYES IK, MB, HMBS MAPT 3995/4885HTT 1655/4885ALDH1A1 856/4885
US-20070031336-A1 3H-phenoxazine derivatives suitable as near-infrared imaging agents, preparation an use thereof PSEN1, PSEN2, CHRM5 MAPT 332/4885HTT 545/4885ALDH1A1 4429/4885

“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.