SCHEMBL5484286

SCHEMBL5484286

C(=Nc1ccc(-c2ccc(N=Cc3ccccc3)c(N=Cc3ccccc3)c2)cc1N=Cc1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.50
CA1 P00915 4/20 0.50
CA12 O43570 4/20 0.50
CA9 Q16790 4/20 0.50
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HPGD P15428 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
BLM P54132 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PTGS2 P35354 3/20 0.41
PTGS1 P23219 1/20 0.37
LIG1 P18858 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
SCHEMBL5484284 1.00 CA2 (0.50) CA2CA1CA12CA9ALDH1A1
SCHEMBL5482715 0.88 CA12 (0.46) CA2CA1CA12CA9ALDH1A1
SCHEMBL5078680 0.84 LMNA (0.55) CA2CA1CA12CA9ALDH1A1
SCHEMBL14524455 0.84 LMNA (0.55) CA2CA1CA12CA9ALDH1A1
SCHEMBL5078683 0.84 LMNA (0.55) CA2CA1CA12CA9ALDH1A1
SCHEMBL5477676 0.84 CA1 (0.40) CA2CA1CA12CA9ALDH1A1
SCHEMBL5478518 0.83 DDX3X (0.39) CA2CA1CA12CA9ALDH1A1
SCHEMBL5482713 0.82 MAPT (0.47) CA2CA1CA12CA9ALDH1A1
SCHEMBL5482714 0.82 MAPT (0.47) CA2CA1CA12CA9ALDH1A1
SCHEMBL5475411 0.82 CA1 (0.43) CA2CA1CA12CA9ALDH1A1

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 CA2 3802/4885CA1 2889/4885CA12 4404/4885

“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.