SCHEMBL13094271

SCHEMBL13094271

N=C(N)c1ccc(NC(=O)CCCC(=O)Nc2ccc(C(=N)N)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.66
ITGA2B P08514 10/20 0.66
F2 P00734 2/20 0.65
PRSS1 P07477 1/20 0.65
PRSS2 P07478 1/20 0.65
PRSS3 P35030 1/20 0.65
TMPRSS6 Q8IU80 1/20 0.65
ST14 Q9Y5Y6 1/20 0.65
FURIN P09958 1/20 0.55

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
Hydrochloric Acid SCHEMBL30314839 0.98 ITGB3 (0.64) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL13094273 0.96 ITGB3 (0.66) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL3081459 0.95 ITGB3 (0.64) ITGB3ITGA2BF2PRSS1PRSS2
Hydrochloric Acid SCHEMBL30701848 0.95 ITGB3 (0.64) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL3093114 0.95 ITGB3 (0.64) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL8693097 0.94 ITGB3 (0.72) ITGB3ITGA2BF2PRSS1PRSS2
Hydrochloric Acid SCHEMBL27480576 0.92 ITGB3 (0.70) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL8410379 0.89 ITGB3 (0.67) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL8502841 0.88 ITGB3 (0.68) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL14599554 0.87 PRSS1 (0.71) ITGB3ITGA2BF2PRSS1PRSS2

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
US-20100267702-A1 Bisbenzamidines and bisbenzamidoximes for the treatment of human African trypanosomiasis HUANG TIEN L 2010-10-21 US disclosed
US-20080279917-A1 Bisbenzamidines for the Treatment of Pneumonia XAVIER UNIVERSITY 2008-11-13 US disclosed
US-20080139534-A1 or sleeping sickness, caused by Trypanosoma brucei gambiense and Trypanosoma brucei rhodesiense; lethargy, continous sleep, breakdown of neurological function, coma and death; viricide, antiprotozoa agent; Pentamidine analog; topoisomerases II inhibitor; inhibit synthesis of DNA, RNA by parasites XAVIER UNIVERSITY OF LOUISIANA (US) 2008-06-12 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 (3 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-20080139534-A1 or sleeping sickness, caused by Trypanosoma brucei gambiense and Trypanosoma brucei rhodesiense; lethargy, continous sleep, breakdown of neurological function, coma and death; viricide, antiprotozoa agent; Pentamidine analog; topoisomerases II inhibitor; inhibit synthesis of DNA, RNA by parasites TOP2A, TOP2B, TOP1 ITGB3 4818/4885ITGA2B 4471/4885F2 1783/4885
US-20080279917-A1 Bisbenzamidines for the Treatment of Pneumonia PBRM1, BHMT, BBOX1 ITGB3 2882/4885ITGA2B 3356/4885F2 2230/4885
US-20100267702-A1 Bisbenzamidines and bisbenzamidoximes for the treatment of human African trypanosomiasis PBRM1, TFB2M, ABAT ITGB3 2078/4885ITGA2B 1293/4885F2 1537/4885

“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.