SCHEMBL5476176

SCHEMBL5476176

Cc1ccc(S(=O)(=O)OC2Sc3cc([N+](=O)[O-])ccc3N2C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SNCA P37840 4/20 0.40
▸ KMT2A Q03164 3/20 0.38
▸ HSP90AA1 P07900 2/20 0.38
▸ CXCR5 P32302 1/20 0.38
▸ APLNR P35414 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CCR6 P51684 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ ACHE P22303 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ CRHBP P24387 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ CASP4 P49662 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ CASP9 P55211 1/20 0.37

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
SCHEMBL6799188 0.79 CYP2D6 (0.41) KMT2ALMNAMEN1CYP2D6HTT
SCHEMBL5675185 0.72 SNCA (0.48) SNCAALDH1A1LMNATDP1CASP1
SCHEMBL18280194 0.71 ALDH1A1 (0.53) KMT2ARAB9AALDH1A1LMNAMEN1
SCHEMBL9304911 0.71 SNCA (0.47) SNCAKMT2AALDH1A1TDP1CASP1
SCHEMBL316392 0.69 BRD4 (0.36) KMT2ARAB9AACHEALDH1A1LMNA
SCHEMBL18280126 0.68 ALDH1A1 (0.56) KMT2ARAB9AALDH1A1LMNACYP2D6
SCHEMBL11790172 0.66 KMT2A (0.44) KMT2AHSP90AA1CXCR5APLNRRAB9A
SCHEMBL18280038 0.65 ALDH1A1 (0.51) KMT2ARAB9AALDH1A1LMNATDP1
SCHEMBL29177197 0.65 ACHE (0.37) KMT2AHSP90AA1CXCR5APLNRRAB9A
Dinitrophenylene SCHEMBL27503833 0.64 CYP1A2 (0.57) KMT2AACHEHSD17B10ALDH1A1LMNA

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-7166715-B2 Nitro-substituted non-fluorescent asymmetric cyanine dye compounds APPLERA CORPORATION (US) 2007-01-23 — — US disclosed
US-20050009058-A1 As quencher in reporter-quencher energy-transfer dye pair for nucleic acid hybridization assays; hairpin motif APPLERA CORPORATION (US) 2005-01-13 — — US disclosed
US-6750024-B2 USEFUL AS QUENCHERS IN A REPORTER-QUENCHER ENERGY-TRANSFER DYE PAIR APPLERA CORPORATION 2004-06-15 — — US disclosed
US-20030207305-A1 Nitro-substituted non-fluorescent asymmetric cyanine dye compounds APPLERA CORPORATION (US) 2003-11-06 — — US disclosed
US-6541618-B1 Detecting hybrids APPLERA CORPORATION 2003-04-01 — — US disclosed
US-6348596-B1 NUCLEIC ACID HYBRIDIZATION ASSAYS; DNA SEQUENCE DETERMINATION PE CORPORATION (NY) 2002-02-19 — — US disclosed
EP-1049744-B1 ASYMMETRIC CYANINE DYE QUENCHERS PE CORP NY (US) 2002-01-23 — — EP disclosed
EP-1049744-A1 ASYMMETRIC CYANINE DYE QUENCHERS PE Corporation (NY) (US) 2000-11-08 — — EP disclosed
US-6080868-A AS A QUENCHER IN A REPORTER-QUENCHER ENERGY-TRANSFER DYE PAIR FOR NUCLEIC ACID HYBRIDIZATION ASSAYS THE PERKIN-ELMER CORPORATION (US) 2000-06-27 — — US disclosed
WO-1999037717-A1 ASYMMETRIC CYANINE DYE QUENCHERS THE PERKIN-ELMER CORPORATION (US) 1999-07-29 — — WO 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-20030207305-A1 Nitro-substituted non-fluorescent asymmetric cyanine dye compounds NSUN3, NSUN2, NCL SNCA 961/4885KMT2A 2454/4885HSP90AA1 4504/4885
US-20050009058-A1 As quencher in reporter-quencher energy-transfer dye pair for nucleic acid hybridization assays; hairpin motif NSUN3, SRRT, RNGTT SNCA 953/4885KMT2A 3319/4885HSP90AA1 4036/4885

“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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