SCHEMBL5833796

SCHEMBL5833796

C=C1N(C)c2ccc(CN)cc2C1(C)C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MPI P34949 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
GAA P10253 2/20 0.33
PKM P14618 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
OPRD1 P41143 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
SMAD3 P84022 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL11778009 0.87 MPI (0.42) MPITDP1MEN1KMT2AGAA
SCHEMBL25930814 0.85 MPI (0.40) MPITDP1MEN1KMT2AGAA
SCHEMBL25930761 0.83 MPI (0.40) MPITDP1MEN1KMT2AGAA
SCHEMBL9750159 0.80 MPI (0.38) MPITDP1MEN1KMT2A
SCHEMBL5850674 0.79 MPI (0.37) MPITDP1KDM4EALDH1A1LMNA
SCHEMBL17472378 0.78 MEN1 (0.43) TDP1MEN1KMT2AGAAPKM
SCHEMBL4603122 0.78 MPI (0.50) MPITDP1MEN1KMT2AGAA
SCHEMBL9735859 0.78 ESR1 (0.38) MPITDP1KDM4EALDH1A1LMNA
SCHEMBL9736230 0.78 ESR1 (0.38) MPITDP1KDM4EALDH1A1LMNA
SCHEMBL9737334 0.78 ESR1 (0.38) MPITDP1KDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9682970-B2 Fluorescent compounds and uses thereof BIOTIUM, INC. (US) 2017-06-20 US disclosed
US-9682970-B2 Fluorescent compounds and uses thereof BIOTIUM, INC. (US) 2017-06-20 US disclosed
US-20160024067-A1 FLUORESCENT COMPOUNDS AND USES THEREOF BIOTIUM, INC. 2016-01-28 US disclosed
US-20160024067-A1 FLUORESCENT COMPOUNDS AND USES THEREOF BIOTIUM, INC. 2016-01-28 US disclosed
US-20060199949-A1 Cyanine dyes as labeling reagents for detection of biological and other materials by luminescence methods CARNEGIE MELLON UNIVERSITY (US) 2006-09-07 US disclosed
US-7008798-B2 Cyanine dyes as labeling reagents for detection of biological and other materials by luminescence methods CARNEGIE MELLON UNIVERSITY (US) 2006-03-07 US disclosed
US-6989275-B2 Cyanine dyes as labeling reagents for detection of biological and other materials by luminescence methods CARNEGIE MELLON UNIVERSITY (US) 2006-01-24 US disclosed
US-6956032-B1 Cyanine dyes as labeling reagents for detection of biological and other materials by luminescence methods CARNEGIE MELLON UNIVERSITY (US) 2005-10-18 US disclosed
US-20020146736-A1 Cyanine dyes as labeling reagents for detection of biological and other materials by luminescence methods CARNEGIE MELLON UNIVERSITY 2002-10-10 US disclosed
US-20020142340-A1 Cyanine dyes as labeling reagents for detection of biological and other materials by luminescence methods CARNEGIE MELLON UNIVERSITY 2002-10-03 US disclosed
US-6225050-B1 LABELING PROTEINS, CELLS, NUCLEIC ACIDS, SUGARS, CARBOHYDRATES, OR MIXTURES USING CYANINE DYE WHICH REACTS WITH AMINE, SULFHYDRYL, OR HYDROXY GROUPS OF COMPONENT CARNEGIE MELLON UNIVERSITY 2001-05-01 US disclosed
US-6048982-A OXAZOLE, THIAZOLE OR IMIDAZOLE CYANINE DYES FOR LABELS CARNEGIE MELLON UNIVERSITY (US) 2000-04-11 US disclosed
US-5627027-A Cyanine dyes as labeling reagents for detection of biological and other materials by luminescence methods CARNEGIE MELLON UNIVERSITY (US) 1997-05-06 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 (4 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-20020142340-A1 Cyanine dyes as labeling reagents for detection of biological and other materials by luminescence methods SHBG, IK, PTMS MPI 2306/4885TDP1 3605/4885MEN1 919/4885
US-20060199949-A1 Cyanine dyes as labeling reagents for detection of biological and other materials by luminescence methods SHBG, IK, PTMS MPI 2306/4885TDP1 3605/4885MEN1 919/4885
US-20020146736-A1 Cyanine dyes as labeling reagents for detection of biological and other materials by luminescence methods SHBG, IK, PTMS MPI 2306/4885TDP1 3605/4885MEN1 919/4885
US-20160024067-A1 FLUORESCENT COMPOUNDS AND USES THEREOF POLI, POLL, POLRMT MPI 476/4885TDP1 97/4885MEN1 2172/4885

“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.