SCHEMBL5478515

SCHEMBL5478515

C(=Nc1cc(-c2ccc(Nc3ccccc3)c(N=Cc3ccccc3)c2)ccc1Nc1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S100B P04271 1/20 0.42
▸ NOX1 Q9Y5S8 1/20 0.41
▸ ALDH1A1 P00352 6/20 0.40
▸ MAPT P10636 5/20 0.40
▸ GAA P10253 5/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ LMNA P02545 3/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ THRB P10828 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ DDX3X O00571 1/20 0.40
▸ KDM4E B2RXH2 4/20 0.37
▸ POLB P06746 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ ALK Q9UM73 2/20 0.37
▸ RAB9A P51151 1/20 0.37

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
SCHEMBL5478509 1.00 S100B (0.42) S100BNOX1ALDH1A1MAPTGAA
SCHEMBL5478518 0.88 DDX3X (0.39) S100BNOX1ALDH1A1MAPTGAA
SCHEMBL5481225 0.86 S100B (0.46) S100BNOX1ALDH1A1MAPTGAA
SCHEMBL5481223 0.86 S100B (0.46) S100BNOX1ALDH1A1MAPTGAA
SCHEMBL17384548 0.86 ALK (0.40) S100BNOX1ALDH1A1MAPTGAA
SCHEMBL5604010 0.85 S100B (0.45) S100BNOX1ALDH1A1MAPTGAA
SCHEMBL5604014 0.85 S100B (0.45) S100BNOX1ALDH1A1MAPTGAA
SCHEMBL17384357 0.82 ALK (0.37) S100BALDH1A1MAPTGAAMEN1
SCHEMBL5484286 0.77 CA2 (0.50) NOX1ALDH1A1MAPTMEN1KMT2A
SCHEMBL5484284 0.77 CA2 (0.50) NOX1ALDH1A1MAPTMEN1KMT2A

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-20070032556-A1 Aromatic polyamine derivative DAICEL CHEMICAL INSUSTRIES, LTD. (JP) 2007-02-08 — — US disclosed
EP-1681284-A1 AROMATIC POLYAMINE DERIVATIVE Daicel Chemical Industries, Ltd. (JP) 2006-07-19 — — 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-20070032556-A1 Aromatic polyamine derivative SRM, PRMT1, KDM8 S100B 4529/4885NOX1 1425/4885ALDH1A1 179/4885

“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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