SCHEMBL6123674

SCHEMBL6123674

CN=NCN=Nc1c(S(=O)(=O)O)cc2ccccc2c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ DNASE1L3 Q13609 1/20 0.45
▸ MPL P40238 6/20 0.44
▸ CTRC Q99895 2/20 0.44
▸ PRMT3 O60678 1/20 0.43
▸ EP300 Q09472 1/20 0.43
▸ PRMT6 Q96LA8 1/20 0.43
▸ PRMT1 Q99873 1/20 0.43
▸ CTRB1 P17538 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ PHLPP2 Q6ZVD8 1/20 0.41
▸ ENPP2 Q13822 3/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ CA2 P00918 1/20 0.38

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
SCHEMBL13994930 0.86 MPL (0.50) CYP1A2CYP2C9MAPK1DNASE1L3MPL
SCHEMBL13238842 0.86 MPL (0.50) CYP1A2CYP2C9MAPK1DNASE1L3MPL
SCHEMBL14542974 0.85 CYP1A2 (0.47) CYP1A2CYP2C9MAPK1DNASE1L3MPL
SCHEMBL9275771 0.80 CYP1A2 (0.43) CYP1A2CYP2C9MAPK1DNASE1L3MPL
SCHEMBL9275764 0.80 CYP1A2 (0.43) CYP1A2CYP2C9MAPK1DNASE1L3MPL
SCHEMBL13852025 0.78 MPL (0.50) CYP1A2CYP2C9MAPK1DNASE1L3MPL
SCHEMBL13994851 0.78 MPL (0.50) CYP1A2CYP2C9MAPK1DNASE1L3MPL
SCHEMBL23787644 0.77 CYP1A2 (0.47) CYP1A2CYP2C9MAPK1DNASE1L3MPL
SCHEMBL13599456 0.77 PHLPP2 (0.43) CYP1A2CYP2C9MAPK1DNASE1L3MPL
SCHEMBL12943030 0.77 PRMT3 (0.61) CYP1A2CYP2C9MAPK1DNASE1L3MPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8167991-B2 Trisazo compound, ink composition, recording method, and colored article NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2012-05-01 — — US disclosed
US-20090062545-A1 Trisazo Compound, Ink Composition, Recording Method, and Colored Article NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-03-05 — — 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-20090062545-A1 Trisazo Compound, Ink Composition, Recording Method, and Colored Article JAK1, TMT1A, CDK1 CYP1A2 1285/4885CYP2C9 1360/4885MAPK1 58/4885

“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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