SCHEMBL3085835

SCHEMBL3085835

NNC(=O)c1ccc(N2CCN(c3ccc(C(=O)NN)cc3)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC2 O75106 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
KDM4E B2RXH2 3/20 0.58
HDAC3 O15379 7/20 0.55
HDAC8 Q9BY41 7/20 0.55
MPO P05164 1/20 0.55
CYP3A4 P08684 1/20 0.55
KDM5A P29375 1/20 0.55
BLM P54132 1/20 0.55
GFER P55789 1/20 0.55
PMP22 Q01453 1/20 0.55
HIF1A Q16665 1/20 0.55
MAPT P10636 3/20 0.53
LMNA P02545 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
OGG1 O15527 1/20 0.53
ALDH1A1 P00352 1/20 0.53
F2 P00734 1/20 0.52
PRSS1 P07477 1/20 0.52
PRSS2 P07478 1/20 0.52

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
SCHEMBL30476653 0.92 HDAC6 (0.71) AOC2HDAC6KDM4EMPOCYP3A4
SCHEMBL5639759 0.91 HDAC3 (0.68) HDAC3HDAC8LMNANPC1RAB9A
SCHEMBL7337653 0.91 HDAC6 (0.69) AOC2HDAC6KDM4EHDAC8MAPT
Hydrochloric Acid SCHEMBL25319983 0.91 HDAC6 (0.69) AOC2HDAC6KDM4EMPOCYP3A4
SCHEMBL20456264 0.90 AOC2 (0.50) AOC2HDAC6KDM4EHDAC3HDAC8
SCHEMBL12524169 0.89 HDAC6 (0.61) AOC2HDAC6KDM4EHDAC3HDAC8
SCHEMBL20456242 0.87 CTSL (0.51) AOC2HDAC6KDM4EHDAC3HDAC8
SCHEMBL6375221 0.86 RAB9A (0.67) AOC2KDM4EMAPTLMNAL3MBTL1
SCHEMBL6134717 0.84 ITGB3 (0.52) HDAC6KDM4EHDAC3HDAC8HIF1A
Iodide SCHEMBL1019297 0.84 CHRNA10 (0.58) AOC2HDAC6KDM4EHDAC3HDAC8

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 8 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-20100267702-A1 Bisbenzamidines and bisbenzamidoximes for the treatment of human African trypanosomiasis HUANG TIEN L 2010-10-21 US disclosed
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
WO-2008070831-A2 BISBENZAMIDINES AND BISBENZAMIDOXIMES FOR THE TREATMENT OF HUMAN AFRICAN TRYPANOSOMIASIS XAVIER UNIVERSITY OF LOUISIANA (US) 2008-06-12 WO 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
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
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 (2 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 AOC2 4372/4885HDAC6 2252/4885KDM4E 759/4885
US-20100267702-A1 Bisbenzamidines and bisbenzamidoximes for the treatment of human African trypanosomiasis PBRM1, TFB2M, ABAT AOC2 1523/4885HDAC6 1167/4885KDM4E 2046/4885

“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.