SCHEMBL1105638

SCHEMBL1105638

C[n+]1c(/C=C/C=C2/N(CCCCCC(=O)O)c3ccc(S(=O)(=O)O)cc3C2(C)C)sc2cc(S(=O)(=O)N3CCCCC3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.39
▸ CXCR4 P61073 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PTPN1 P18031 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ ADORA1 P30542 2/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ HRH1 P35367 1/20 0.35
▸ HRH2 P25021 4/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ CHRM4 P08173 1/20 0.35
▸ CHRM5 P08912 1/20 0.35
▸ CHRM1 P11229 1/20 0.35

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
SCHEMBL14747435 0.94 LMNA (0.38) MAPTCXCR4MEN1KMT2APTPN1
SCHEMBL1105635 0.90 MAPT (0.36) MAPTCXCR4MEN1KMT2APTPN1
SCHEMBL1105643 0.89 PTPN1 (0.44) MAPTCXCR4MEN1KMT2APTPN1
SCHEMBL1105706 0.87 PTPN1 (0.42) MAPTCXCR4PTPN1ADORA1HRH1
SCHEMBL10118448 0.86 CXCR4 (0.39) CXCR4PTPN1ADORA1HRH1HRH2
SCHEMBL15827270 0.85 MEN1 (0.41) MAPTCXCR4MEN1KMT2APTPN1
SCHEMBL14747443 0.84 PTPN1 (0.43) MAPTMEN1KMT2APTPN1LMNA
SCHEMBL14747444 0.82 PTPN1 (0.41) MAPTCXCR4PTPN1ADORA1HRH1
SCHEMBL14747451 0.82 PTPN1 (0.42) MAPTCXCR4MEN1KMT2APTPN1
SCHEMBL14747442 0.81 ADORA1 (0.37) CXCR4PTPN1ADORA1HRH1HRH2

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 14 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-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-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-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-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-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

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 MAPT 3649/4885CXCR4 949/4885MEN1 4221/4885
US-20130109847-A1 Detection or quantification of desirable target molecules, novel dyes, composite dyes, and oligonucleotides or polynucleotides comprising such dyes ANXA5, DCLRE1B, POLRMT MAPT 3603/4885CXCR4 1192/4885MEN1 4192/4885
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 MAPT 3473/4885CXCR4 1166/4885MEN1 4008/4885

“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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