SCHEMBL4009452

SCHEMBL4009452

O=C(O)C(=Cc1ccc(Nc2nc(Cl)nc(Nc3ccc(C=C(C(=O)O)C(=O)O)cc3)n2)cc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.55
▸ MEN1 O00255 4/20 0.53
▸ KMT2A Q03164 4/20 0.53
▸ MAPT P10636 3/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ CACNA1B Q00975 1/20 0.51
▸ APBA1 Q02410 1/20 0.51
▸ NFKB1 P19838 2/20 0.49
▸ CA12 O43570 5/20 0.47
▸ CA1 P00915 5/20 0.47
▸ CA2 P00918 5/20 0.47
▸ CA9 Q16790 5/20 0.47
▸ LMNA P02545 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ CA14 Q9ULX7 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ NPC1 O15118 1/20 0.43

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
SCHEMBL4007237 0.92 TP53 (0.50) POLBMEN1KMT2AMAPTMAPK1
SCHEMBL4009495 0.86 TP53 (0.45) POLBMEN1KMT2AMAPTMAPK1
SCHEMBL13843270 0.85 TP53 (0.44) POLBMEN1KMT2AMAPTMAPK1
SCHEMBL4014947 0.82 AURKA (0.48) MAPK1CA12CA1CA2CA9
SCHEMBL4014927 0.82 AURKA (0.48) MAPK1CA12CA1CA2CA9
SCHEMBL13843257 0.76 NPC1 (0.51) POLBMEN1KMT2AMAPTCA12
SCHEMBL304437 0.76 POLB (0.63) POLBMEN1KMT2AMAPTMAPK1
SCHEMBL4009454 0.75 CHRNA7 (0.53) MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4008595 0.75 PDE4B (0.43) POLBMEN1KMT2AMAPTMAPK1
SCHEMBL4143822 0.74 JAK3 (0.48) POLBMEN1KMT2AMAPTMAPK1

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-7534421-B2 s-Triazine compounds bearing at least one para-aminobenzalmalonic salt substituent and photoprotective cosmetic compositions comprised thereof L'OREAL (FR) 2009-05-19 — — US disclosed
US-20040258636-A1 Novel s-triazine compounds bearing at least one para-aminobenzalmalonic salt substituent and photoprotective cosmetic compositions comprised thereof SOCIETE L'OREAL S.A. (FR) 2004-12-23 — — 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-20040258636-A1 Novel s-triazine compounds bearing at least one para-aminobenzalmalonic salt substituent and photoprotective cosmetic compositions comprised thereof TYR, KRT18, TST POLB 1024/4885MEN1 4041/4885KMT2A 495/4885

“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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