SCHEMBL1105805

SCHEMBL1105805

Cc1sc2cc(S(=O)(=O)N3CCCCC3)ccc2[n+]1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.50
▸ HPGD P15428 3/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ VDR P11473 1/20 0.50
▸ GFER P55789 1/20 0.50
▸ GPR55 Q9Y2T6 1/20 0.50
▸ MCOLN3 Q8TDD5 3/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ TSHR P16473 2/20 0.49
▸ USP2 O75604 1/20 0.49
▸ CRHBP P24387 1/20 0.47
▸ CRHR2 Q13324 1/20 0.47
▸ LMNA P02545 2/20 0.47
▸ PKM P14618 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ POLB P06746 1/20 0.46

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
SCHEMBL1105639 0.86 CYP1A2 (0.53) ALDH1A1HPGDCYP1A2CYP3A4CYP2C19
SCHEMBL1105741 0.77 ALDH1A1 (0.49) ALDH1A1HPGDCYP1A2CYP3A4CYP2C19
SCHEMBL1105806 0.73 SNCA (0.48) ALDH1A1HPGDCYP1A2CYP3A4CYP2C19
SCHEMBL1105775 0.73 KDM4E (0.42) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL611964 0.72 ALDH1A1 (0.72) ALDH1A1HPGDCYP1A2CYP3A4CYP2C19
SCHEMBL316391 0.71 MAPT (0.41) ALDH1A1HPGDCYP1A2MAPTMEN1
SCHEMBL17251812 0.70 PKM (0.70) ALDH1A1HPGDCYP1A2CYP3A4CYP2C19
SCHEMBL12320941 0.69 ALDH1A1 (0.67) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL1105700 0.69 CYP1A2 (0.82) ALDH1A1HPGDCYP1A2CYP3A4CYP2C19
SCHEMBL15945283 0.68 KMT2A (0.86) ALDH1A1CYP1A2CYP3A4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846952-B2 Detection or quantification of desirable target molecules, novel dyes, composite dyes, and oligonucleotides or polynucleotides comprising such dyes ENZO LIFE SCIENCES, INC. (US) 2014-09-30 — — US disclosed
US-8759526-B2 Dyes, composite dyes, and oligonucleotides or polynucleotides comprising such dyes—useful or detection or quantification of desirable target molecules ENZO LIFE SCIENCES, INC. (US) 2014-06-24 — — US disclosed
US-8574881-B2 Compositions useful for detection or quantification of desirable target molecules, novel dyes, composite dyes, and oligonucleotides or polynucleotides comprising such dyes ENZO LIFE SCIENCES, INC. (US) 2013-11-05 — — US disclosed
US-20130109847-A1 Detection or quantification of desirable target molecules, novel dyes, composite dyes, and oligonucleotides or polynucleotides comprising such dyes ENZO LIFE SCIENCES, INC. C/O ENZO BIOCHEM, INC. (US) 2013-05-02 — — US disclosed
US-8389729-B2 Methods for detecting the presence, location or quantity of targets using novel dyes ENZO LIFE SCIENCES, INC. (US) 2013-03-05 — — US disclosed
US-20130045480-A1 Novel dyes, composite dyes, and oligonucleotides or polynucleotides comprising such dyes - useful or detection or quantification of desirable target molecules ENZO LIFE SCIENCES, INC. C/O ENZO BIOCHEM, INC. (US) 2013-02-21 — — US disclosed
US-8153802-B2 Dyes linked to target molecules, oligonucleotides or polynucleotides comprising dye molecules, composite dyes and other compositions useful for detecting or quantifying desirable target molecules ENZO LIFE SCIENCES, INC. (US) 2012-04-10 — — US disclosed
US-8153802-B2 Dyes linked to target molecules, oligonucleotides or polynucleotides comprising dye molecules, composite dyes and other compositions useful for detecting or quantifying desirable target molecules ENZO LIFE SCIENCES, INC. (US) 2012-04-10 — — US disclosed
US-20120040430-A1 Compositions useful for detection or quantification of desirable target molecules, novel dyes, composite dyes, and oligonucleotides or polynucleotides comprising such dyes ENZO LIFE SCIENCES, INC. C/O ENZO BIOCHEM, INC. (US) 2012-02-16 — — US disclosed
US-20100228008-A1 Dyes linked to target molecules, oligonucleotides or polynucleotides comprising dye molecules, composite dyes and other compositions useful for detecting or quantifying desirable target molecules ENZO LIFE SCIENCES, INC. C/O ENZO BIOCHEM, INC. (US) 2010-09-09 — — US disclosed
US-20100228008-A1 Dyes linked to target molecules, oligonucleotides or polynucleotides comprising dye molecules, composite dyes and other compositions useful for detecting or quantifying desirable target molecules ENZO LIFE SCIENCES, INC. C/O ENZO BIOCHEM, INC. (US) 2010-09-09 — — US disclosed
US-7737281-B2 Purine based fluorescent dyes ENZO LIFE SCIENCES, INC. C/O ENZO BIOCHEM, INC. (US) 2010-06-15 — — US disclosed
US-7737281-B2 Purine based fluorescent dyes ENZO LIFE SCIENCES, INC. C/O ENZO BIOCHEM, INC. (US) 2010-06-15 — — US disclosed
US-20100041020-A1 Methods for detecting the presence, location or quantity of targets using novel dyes ENZO LIFE SCIENCES, INC. C/O ENZO BIOCHEM, INC. (US) 2010-02-18 — — US disclosed
US-7569695-B2 Cyanine dyes substituted by electrophilic groups and/or nucleophilic groups including merocyanine, methine, oxazoline, oxonol, selenazole fluorescent, imidazoline, quinoline, indole, reactive and cationic dyes; labeling reagents for proteins and nucleic acids; genetic probes; amplification; hybridization ENZO LIFE SCIENCES, INC. (US) 2009-08-04 — — US disclosed
US-7569695-B2 Cyanine dyes substituted by electrophilic groups and/or nucleophilic groups including merocyanine, methine, oxazoline, oxonol, selenazole fluorescent, imidazoline, quinoline, indole, reactive and cationic dyes; labeling reagents for proteins and nucleic acids; genetic probes; amplification; hybridization ENZO LIFE SCIENCES, INC. (US) 2009-08-04 — — 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 (3 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-20130045480-A1 Novel dyes, composite dyes, and oligonucleotides or polynucleotides comprising such dyes - useful or detection or quantification of desirable target molecules ANXA5, DCLRE1B, ANXA4 ALDH1A1 3717/4885HPGD 4567/4885CYP1A2 4877/4885
US-20130109847-A1 Detection or quantification of desirable target molecules, novel dyes, composite dyes, and oligonucleotides or polynucleotides comprising such dyes ANXA5, DCLRE1B, POLRMT ALDH1A1 3749/4885HPGD 4530/4885CYP1A2 4878/4885
US-20100228008-A1 Dyes linked to target molecules, oligonucleotides or polynucleotides comprising dye molecules, composite dyes and other compositions useful for detecting or quantifying desirable target molecules ANXA5, POLRMT, DCLRE1B ALDH1A1 4004/4885HPGD 4630/4885CYP1A2 4878/4885

“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.

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