SCHEMBL1704387

SCHEMBL1704387

CCN(CC)CCCNc1n[c]nc(NCCCN(CC)CC)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
TOP2A P11388 1/20 0.43
TSHR P16473 1/20 0.42
CACNA2D1 P54289 1/20 0.41
TP53 P04637 1/20 0.40
CCR4 P51679 1/20 0.39
POLB P06746 1/20 0.39
TLR8 Q9NR97 1/20 0.38
FGFR1 P11362 3/20 0.38
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
APAF1 O14727 1/20 0.36
NPC1 O15118 1/20 0.36
MITF O75030 1/20 0.36
NSD2 O96028 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL14029367 0.81 KMT2A (0.46) GAATOP2ATSHRCACNA2D1TP53
SCHEMBL9118084 0.79 SLC29A1 (0.44) TLR8CA1CA2CA9KDM4E
SCHEMBL22304462 0.79 TOP2A (0.43) GAATOP2ATSHRCACNA2D1TP53
SCHEMBL14065592 0.79 CACNA2D1 (0.44) GAATOP2ATSHRCACNA2D1TP53
SCHEMBL4874795 0.79 KMT2A (0.57) GAATOP2ATSHRCACNA2D1CCR4
SCHEMBL12087313 0.79 TLR8 (0.51) GAATOP2ATSHRCACNA2D1TP53
SCHEMBL6279465 0.77 KCNH3 (0.50) TSHRTLR8CA1CA2CA9
SCHEMBL24700672 0.76 TOP2A (0.42) GAATOP2ATSHRCACNA2D1TP53
SCHEMBL14047483 0.76 ALDH1A1 (0.46) GAATOP2ATSHRCACNA2D1CCR4
SCHEMBL14181384 0.76 TP53 (0.47) GAATOP2ATSHRCACNA2D1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1892240-B1 Benzoisoindole derivative, pigment composition comprising the same and colored composition TOYO INK MFG CO (JP) 2012-04-18 EP disclosed
US-20080289541-A1 Benzoisoindole derivative, pigment composition comprising the same and colored composition TOYO INK MFG. CO., LTD. (JP) 2008-11-27 US disclosed
EP-1892240-A1 Benzoisoindole derivative, pigment composition comprising the same and colored composition TOYO INK MFG. CO., LTD. (JP) 2008-02-27 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-20080289541-A1 Benzoisoindole derivative, pigment composition comprising the same and colored composition TYR, BRI3BP, MITF GAA 1199/4885TOP2A 1120/4885TSHR 3810/4885

“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.