SCHEMBL3068615

SCHEMBL3068615

N#Cc1ccc(N(C(=O)CCCC(N)=O)c2ccc(C#N)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 1/20 0.38
PARP10 Q53GL7 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
PGR P06401 1/20 0.38
MMP2 P08253 2/20 0.38
GSK3B P49841 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.37
HTT P42858 1/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
ITK Q08881 2/20 0.36
IDO1 P14902 2/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
HCRTR2 O43614 1/20 0.35

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
SCHEMBL9550491 0.77 PARP15 (0.46) PARP15PARP10PARP2MMP2GSK3B
SCHEMBL31319816 0.76 CA2 (0.42) LTB4R2HTTCA2KMT2ANPC1
SCHEMBL3241012 0.75 ITK (0.36) PGRITKHCRTR2
SCHEMBL3228574 0.75 ITK (0.36) PGRITKHCRTR2
SCHEMBL28277184 0.75 ALDH1A1 (0.35) HTTKMT2ANPC1
SCHEMBL4138868 0.74 NPSR1 (0.55) HTTKMT2ANPC1
SCHEMBL29624301 0.73 PARP15 (0.46) PARP15PARP10PARP2MMP2GSK3B
SCHEMBL1769746 0.73 NPSR1 (0.53) HTTKMT2ANPC1
SCHEMBL10596450 0.73 NPSR1 (0.53) HTTKMT2ANPC1
SCHEMBL12500342 0.73 FFAR1 (0.49) PARP15PARP10PARP2GSK3BHTT

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-20100267702-A1 Bisbenzamidines and bisbenzamidoximes for the treatment of human African trypanosomiasis HUANG TIEN L 2010-10-21 US disclosed
WO-2008070831-A2 BISBENZAMIDINES AND BISBENZAMIDOXIMES FOR THE TREATMENT OF HUMAN AFRICAN TRYPANOSOMIASIS XAVIER UNIVERSITY OF LOUISIANA (US) 2008-06-12 WO 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-20100267702-A1 Bisbenzamidines and bisbenzamidoximes for the treatment of human African trypanosomiasis PBRM1, TFB2M, ABAT PARP15 1202/4885PARP10 1744/4885PARP2 815/4885

“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.