SCHEMBL10230494

SCHEMBL10230494

O=[N+]([O-])c1ccccc1C(O)I

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.54
▸ ALDH1A1 P00352 6/20 0.53
▸ TSHR P16473 2/20 0.51
▸ GPR35 Q9HC97 2/20 0.47
▸ HSD17B10 Q99714 1/20 0.45
▸ TDP1 Q9NUW8 4/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ PLAU P00749 1/20 0.42
▸ PTPRC P08575 1/20 0.42
▸ S100A4 P26447 1/20 0.42
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ PDE7A Q13946 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CA1 P00915 1/20 0.41

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
SCHEMBL10230495 1.00 CYP1A2 (0.54) CYP1A2ALDH1A1TSHRGPR35HSD17B10
SCHEMBL3697952 0.85 CYP1A2 (0.59) CYP1A2ALDH1A1TSHRGPR35HSD17B10
SCHEMBL8521008 0.83 CYP1A2 (0.58) CYP1A2ALDH1A1TSHRGPR35HSD17B10
SCHEMBL28248090 0.83 CYP1A2 (0.53) CYP1A2ALDH1A1TSHRGPR35HSD17B10
SCHEMBL31014201 0.83 CYP1A2 (0.58) CYP1A2ALDH1A1TSHRGPR35HSD17B10
SCHEMBL506668 0.83 CYP1A2 (0.58) CYP1A2ALDH1A1TSHRGPR35HSD17B10
SCHEMBL5281897 0.80 CYP1A2 (0.64) CYP1A2ALDH1A1TSHRGPR35HSD17B10
SCHEMBL8125004 0.80 ALDH1A1 (0.53) CYP1A2ALDH1A1TSHRGPR35HSD17B10
SCHEMBL14436535 0.80 CYP1A2 (0.54) CYP1A2ALDH1A1TSHRGPR35HSD17B10
SCHEMBL6256628 0.80 ALDH1A1 (0.57) CYP1A2ALDH1A1TSHRGPR35HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102443030-B The Nucleotide of the labeled nucleotide that light can rupture and nucleosides and mark and nucleosides and its using method in DNA sequencing LASERGEN INC. (US) 2015-12-16 — — CN disclosed
US-8148503-B2 Nucleotides and nucleosides and methods for their use in DNA sequencing LASERGEN, INC. (US) 2012-04-03 — — US disclosed
US-20100041041-A1 NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN DNA SEQUENCING AGILENT TECHNOLOGIES, INC. 2010-02-18 — — 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 (1 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-20100041041-A1 NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN DNA SEQUENCING UNG, NT5C2, NT5E CYP1A2 1691/4885ALDH1A1 1889/4885TSHR 4231/4885

“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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