SCHEMBL3417435

SCHEMBL3417435

O=C(O)c1cccc2cc3c(S(=O)(=O)O)cccc3cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.53
NR4A1 P22736 2/20 0.52
NR4A2 P43354 1/20 0.52
NR4A3 Q92570 1/20 0.52
CYP2D6 P10635 2/20 0.50
KDM4E B2RXH2 4/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CASP1 P29466 2/20 0.48
CASP7 P55210 2/20 0.48
HSD17B10 Q99714 2/20 0.48
USP2 O75604 1/20 0.48
POLB P06746 1/20 0.48
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GRIN2D O15399 1/20 0.45
GRIN2A Q12879 1/20 0.45

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
SCHEMBL29450072 0.88 CYP2D6 (0.55) PTPN1NR4A1NR4A2NR4A3CYP2D6
SCHEMBL165075 0.88 CYP2D6 (0.55) PTPN1NR4A1NR4A2NR4A3CYP2D6
SCHEMBL1807536 0.87 CYP2D6 (0.51) PTPN1NR4A1NR4A2NR4A3CYP2D6
SCHEMBL686665 0.85 TTR (0.55) NR4A1CYP2D6KDM4EMEN1KMT2A
SCHEMBL29600450 0.85 NR4A1 (0.68) PTPN1NR4A1NR4A2NR4A3KDM4E
SCHEMBL71960 0.85 NR4A1 (0.68) PTPN1NR4A1NR4A2NR4A3KDM4E
SCHEMBL1805366 0.83 CYP2D6 (0.51) PTPN1NR4A1NR4A2NR4A3CYP2D6
SCHEMBL1807535 0.83 PTPN1 (0.50) PTPN1NR4A1NR4A2NR4A3CYP2D6
SCHEMBL1805368 0.83 GRIN2D (0.68) PTPN1CYP2D6KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL4607125 0.83 PTPN1 (0.66) PTPN1NR4A1NR4A2NR4A3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8211221-B2 Colorant compound and ink including the colorant compound CANON KABUSHIKI KAISHA (JP) 2012-07-03 US disclosed
US-20100089284-A1 COLORANT COMPOUND AND INK INCLUDING THE COLORANT COMPOUND CANON KABUSHIKI KAISHA (JP) 2010-04-15 US disclosed
EP-1067155-B1 ANTHRAPYRIDONE COMPOUNDS, WATER-BASED MAGENTA INK COMPOSITION, AND METHOD OF INK-JET RECORDING NIPPON KAYAKU KK (JP) 2008-02-27 EP disclosed
US-7326288-B2 Trisazo compound, ink composition, and colored object NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2008-02-05 US disclosed
US-20070107628-A1 Trisazo compound, ink composition, and colored object NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-05-17 US disclosed
EP-1693422-A1 TRISAZO COMPOUND, INK COMPOSITION, AND COLORED OBJECT Nippon Kayaku Kabushiki Kaisha (JP) 2006-08-23 EP disclosed
US-6471760-B1 WIDE RANGE OF BLEND COLOR IN HUE AND VIVIDNESS; LIGHT AND WATER FASTNESS; RECORDING INFORMATION ON SURFACE TREATED TRANSMISSION SHEET NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2002-10-29 US disclosed
EP-1067155-A1 NOVEL ANTHRAPYRIDONE COMPOUNDS, WATER-BASED MAGENTA INK COMPOSITION, AND METHOD OF INK-JET RECORDING Nippon Kayaku Kabushiki Kaisha (JP) 2001-01-10 EP 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-20070107628-A1 Trisazo compound, ink composition, and colored object UFL1, TMT1A, JAK1 PTPN1 259/4885NR4A1 1140/4885NR4A2 2546/4885
US-20100089284-A1 COLORANT COMPOUND AND INK INCLUDING THE COLORANT COMPOUND CDKL5, RB1, CYP3A5 PTPN1 1366/4885NR4A1 1224/4885NR4A2 1722/4885

“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.