SCHEMBL5540645

SCHEMBL5540645

N=C(N)c1ccc(C(=O)NCCCCNC(=O)c2ccc(C(=N)N)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.58
ITGB3 P05106 2/20 0.56
ITGA2B P08514 2/20 0.56
PRSS1 P07477 7/20 0.56
F10 P00742 4/20 0.56
F2 P00734 2/20 0.55
PRSS2 P07478 2/20 0.55
PRSS3 P35030 2/20 0.55
TMPRSS6 Q8IU80 2/20 0.55
ST14 Q9Y5Y6 2/20 0.55
ALDH1A1 P00352 1/20 0.55
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
TPSAB1 Q15661 1/20 0.54

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
SCHEMBL14599581 0.98 MAPK1 (0.61) MAPK1ITGB3ITGA2BPRSS1F10
SCHEMBL14599527 0.98 MAPK1 (0.61) MAPK1ITGB3ITGA2BPRSS1F10
SCHEMBL14599618 0.98 MAPK1 (0.61) MAPK1ITGB3ITGA2BPRSS1F10
SCHEMBL14599582 0.98 MAPK1 (0.61) MAPK1ITGB3ITGA2BPRSS1F10
SCHEMBL14519316 0.90 NPC1 (0.54) MAPK1ITGB3ITGA2BPRSS1F10
SCHEMBL9030474 0.90 L3MBTL1 (0.59) ITGB3ITGA2BPRSS1F10ALDH1A1
SCHEMBL28947192 0.85 F10 (0.54) ITGB3ITGA2BPRSS1F10F2
SCHEMBL2344986 0.85 ITGB3 (0.56) ITGB3ITGA2BPRSS1F10F2
SCHEMBL7328394 0.85 MAPK1 (0.63) MAPK1ITGB3ITGA2B
Hydrochloric Acid SCHEMBL8408094 0.85 MAPK1 (0.68) MAPK1ITGB3ITGA2BF10

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-7262223-B2 Amidine derivatives for treating amyloidosis NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-08-28 US claimed
US-20050182118-A1 Amidine derivatives for treating amyloidosis NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2005-08-18 US claimed
US-7262223-B2 Amidine derivatives for treating amyloidosis NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-08-28 US disclosed
US-7262223-B2 Amidine derivatives for treating amyloidosis NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-08-28 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-20050182118-A1 Amidine derivatives for treating amyloidosis APP, IAPP, GRN MAPK1 2258/4885ITGB3 3940/4885ITGA2B 3439/4885

“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.