SCHEMBL2469595

SCHEMBL2469595

[NH]c1ccc2cc(P(=O)(O)O)ccc2c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA5A P35218 1/20 0.38
PGK1 P00558 3/20 0.34
PGK2 P07205 3/20 0.34
PTPN1 P18031 2/20 0.33
FBP1 P09467 5/20 0.33
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
ALOX15 P16050 1/20 0.32
CYP2C19 P33261 1/20 0.32
GRM2 Q14416 1/20 0.32
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
GRIK1 P39086 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
SCHEMBL8388202 0.87 CA2 (0.48) ALDH1A1TDP1CA2CA4CA5A
SCHEMBL23000023 0.82 CA2 (0.44) ALDH1A1TDP1CA2CA4CA5A
SCHEMBL756459 0.78 CA2 (0.52) ALDH1A1TDP1CA2CA4CA5A
SCHEMBL341299 0.77 CA2 (0.55) ALDH1A1TDP1CA2CA4CA5A
Hydrochloric Acid SCHEMBL28698564 0.77 CA2 (0.50) ALDH1A1TDP1CA2CA4CA5A
SCHEMBL25199932 0.77 CYP1A2 (0.48) ALDH1A1TDP1CA2CA4CA5A
SCHEMBL939524 0.77 CA2 (0.50) ALDH1A1TDP1CA2CA4CA5A
SCHEMBL29757413 0.75 CYP2A6 (0.46) ALDH1A1TDP1CA2CA4CA5A
SCHEMBL2469598 0.75 ALDH1A1 (0.46) ALDH1A1TDP1CA2CA4CA5A
SCHEMBL342414 0.74 CA2 (0.52) ALDH1A1TDP1CA2CA4CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8535431-B2 Porphyrazine coloring matter, ink composition containing the same and colored product NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-09-17 US disclosed
EP-2371906-B1 PORPHYRAZINE DYE, INK COMPOSITION CONTAINING SAME, AND COLORED MATERIAL NIPPON KAYAKU KK (JP) 2013-06-12 EP disclosed
US-20110242198-A1 Porphyrazine Coloring Matter, Ink Composition Containing The Same And Colored Product NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-10-06 US disclosed
EP-2371906-A1 PORPHYRAZINE DYE, INK COMPOSITION CONTAINING SAME, AND COLORED MATERIAL Nippon Kayaku Kabushiki Kaisha (JP) 2011-10-05 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 (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-20110242198-A1 Porphyrazine Coloring Matter, Ink Composition Containing The Same And Colored Product PPOX, JAK1, IL5 ALDH1A1 4031/4885TDP1 424/4885CA2 1113/4885

“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.