SCHEMBL1105654

SCHEMBL1105654

CN(CC[N+](C)(C)C)C1=C/C(=C\c2sc3cc(S(=O)(=O)N4CCCCC4)ccc3[n+]2C)c2ccccc2N1c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.32
▸ HPGD P15428 3/20 0.32
▸ MCOLN3 Q8TDD5 4/20 0.32
▸ LMNA P02545 3/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ NLRP3 Q96P20 1/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ APOBEC3A P31941 1/20 0.31
▸ APOBEC3G Q9HC16 1/20 0.31
▸ MAPT P10636 1/20 0.30
▸ VDR P11473 1/20 0.30
▸ GFER P55789 1/20 0.30
▸ GPR55 Q9Y2T6 1/20 0.30
▸ CRHBP P24387 1/20 0.30
▸ CRHR2 Q13324 1/20 0.30
▸ TSHR P16473 2/20 0.30
▸ THRB P10828 1/20 0.30
▸ CNR1 P21554 1/20 0.30

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
SCHEMBL1105648 0.93 ALDH1A1 (0.33) ALDH1A1HPGDMCOLN3LMNAKDM4E
SCHEMBL1105646 0.92 RAB9A (0.31) ALDH1A1HPGDLMNAKDM4ERXFP1
SCHEMBL13746379 0.90 ALDH1A1 (0.31) ALDH1A1HPGDMCOLN3LMNAKDM4E
SCHEMBL14901822 0.89 — —
SCHEMBL1105649 0.87 KMT2A (0.32) ALDH1A1HPGDMCOLN3LMNAKDM4E
SCHEMBL1105701 0.85 KDM4E (0.38) ALDH1A1HPGDMCOLN3LMNAKDM4E
SCHEMBL14901810 0.82 — —
SCHEMBL14901804 0.81 — —
SCHEMBL14901821 0.76 — —
SCHEMBL13686240 0.75 ALDH1A1 (0.41) ALDH1A1HPGDMCOLN3LMNAKDM4E

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 10 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-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-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 (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-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 4567/4885MCOLN3 2259/4885
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 4630/4885MCOLN3 2394/4885

“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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