SCHEMBL3423545

SCHEMBL3423545

O=C(O)CCc1ccc2nc3ccc(=O)cc-3oc2c1Br

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APP P05067 12/20 0.44
CYP1A2 P05177 1/20 0.40
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
PARP1 P09874 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
HDAC6 Q9UBN7 2/20 0.33
APEX1 P27695 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
PPARG P37231 1/20 0.32
NCOA2 Q15596 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
NCOR2 Q9Y618 1/20 0.32

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
SCHEMBL10138091 0.86 APP (0.43) APPCYP1A2CYSLTR2CYSLTR1HDAC6
SCHEMBL15354677 0.77 APP (0.43) APPCYP1A2CYSLTR2CYSLTR1HDAC6
SCHEMBL15354678 0.77 APP (0.43) APPCYP1A2CYSLTR2CYSLTR1HDAC6
SCHEMBL4014327 0.76 APP (0.55) APPCYP1A2ALDH1A1HPGDTSHR
SCHEMBL14457768 0.74 APP (0.41) APPCYP1A2CYSLTR2CYSLTR1PARP1
SCHEMBL4922053 0.73 APP (0.57) APPCYP1A2HDAC6
SCHEMBL24186330 0.70 APP (0.53) APPCYP1A2CYSLTR2CYSLTR1
SCHEMBL5710520 0.69 APP (0.55) APPCYP1A2MAPTRXFP1
SCHEMBL5681747 0.69 APP (0.55) APPCYP1A2MAPTRXFP1
Bromoacetic Acid SCHEMBL1896727 0.68 APP (0.80) APPCYP1A2

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-7767834-B2 Phosphonylated fluorescent dyes and conjugates ELITECH HOLDING B.V. (NL) 2010-08-03 US disclosed
EP-1991552-A2 PHOSPHONYLATED FLUORESCENT DYES AND CONJUGATES Epoch Biosciences, Inc. (US) 2008-11-19 EP disclosed
US-20080207887-A1 PHOSPHONYLATED FLUORESCENT DYES AND CONJUGATES EPOCH BIOSCIENCES, INC. (US) 2008-08-28 US disclosed
WO-2007098182-A2 PHOSPHONYLATED FLUORESCENT DYES AND CONJUGATES EPOCH BIOSCIENCES, INC. (US) 2007-08-30 WO disclosed
US-20060199955-A1 Phosphonylated fluorescent dyes and conjugates EPOCH BIOSCIENCES, INC. (US) 2006-09-07 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-20080207887-A1 PHOSPHONYLATED FLUORESCENT DYES AND CONJUGATES PHOSPHO1, PFAS, PHPT1 APP 3601/4885CYP1A2 4520/4885CYSLTR2 4061/4885
US-20060199955-A1 Phosphonylated fluorescent dyes and conjugates PHOSPHO1, PFAS, PHPT1 APP 3601/4885CYP1A2 4520/4885CYSLTR2 4061/4885

“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.